Package evaluation of ProteinChains on Julia 1.13.0-DEV.888 (0e1aa6c7eb*) started at 2025-07-22T20:32:34.406 ################################################################################ # Set-up # Installing PkgEval dependencies (TestEnv)... Set-up completed after 9.3s ################################################################################ # Installation # Installing ProteinChains... Resolving package versions... Updating `~/.julia/environments/v1.13/Project.toml` [b8e8f2a5] + ProteinChains v0.7.3 Updating `~/.julia/environments/v1.13/Manifest.toml` [79e6a3ab] + Adapt v4.3.0 [ec485272] + ArnoldiMethod v0.4.0 [8ed43e74] + AssigningSecondaryStructure v0.5.1 [a9b6321e] + Atomix v1.1.1 [9ac9c2a2] + Backboner v0.12.2 [47718e42] + BioGenerics v0.1.5 [de9282ab] + BioStructures v4.6.0 [3c28c6f8] + BioSymbols v5.2.0 [c3b6d118] + BitIntegers v0.3.5 [d360d2e6] + ChainRulesCore v1.25.2 [944b1d66] + CodecZlib v0.7.8 [34da2185] + Compat v4.17.0 [864edb3b] + DataStructures v0.18.22 [b4f34e82] + Distances v0.10.12 [e139c391] + DynamicStructs v0.2.3 [5789e2e9] + FileIO v1.17.0 [1fa38f19] + Format v1.3.7 [46192b85] + GPUArraysCore v0.2.0 [86223c79] + Graphs v1.13.0 [f67ccb44] + HDF5 v0.17.2 [076d061b] + HashArrayMappedTries v0.2.0 [d25df0c9] + Inflate v0.1.5 [842dd82b] + InlineStrings v1.4.4 [033835bb] + JLD2 v0.5.15 [692b3bcd] + JLLWrappers v1.7.0 [682c06a0] + JSON v0.21.4 [63c18a36] + KernelAbstractions v0.9.37 [3da0fdf6] + MPIPreferences v0.1.11 [1914dd2f] + MacroTools v0.5.16 [872c559c] + NNlib v0.9.30 [b8a86587] + NearestNeighbors v0.4.22 [bac558e1] + OrderedCollections v1.8.1 [69de0a69] + Parsers v2.8.3 [7b2266bf] + PeriodicTable v1.2.1 [aea7be01] + PrecompileTools v1.3.2 [21216c6a] + Preferences v1.4.3 [b8e8f2a5] + ProteinChains v0.7.3 [94ee1d12] + Quaternions v0.7.6 [c1ae055f] + RealDot v0.1.0 [3cdcf5f2] + RecipesBase v1.3.4 [189a3867] + Reexport v1.2.2 [ae029012] + Requires v1.3.1 [6038ab10] + Rotations v1.7.1 [7e506255] + ScopedValues v1.4.0 [699a6c99] + SimpleTraits v0.9.4 [90137ffa] + StaticArrays v1.9.14 [1e83bf80] + StaticArraysCore v1.4.3 [10745b16] + Statistics v1.11.1 [82ae8749] + StatsAPI v1.7.1 [3bb67fe8] + TranscodingStreams v0.11.3 [1986cc42] + Unitful v1.23.1 [013be700] + UnsafeAtomics v0.3.0 [0234f1f7] + HDF5_jll v1.14.6+0 [e33a78d0] + Hwloc_jll v2.12.1+0 [7cb0a576] + MPICH_jll v4.3.1+0 [f1f71cc9] + MPItrampoline_jll v5.5.4+0 [9237b28f] + MicrosoftMPI_jll v10.1.4+3 [fe0851c0] + OpenMPI_jll v5.0.8+0 [477f73a3] + libaec_jll v1.1.3+0 [0dad84c5] + ArgTools v1.1.2 [56f22d72] + Artifacts v1.11.0 [2a0f44e3] + Base64 v1.11.0 [ade2ca70] + Dates v1.11.0 [8ba89e20] + Distributed v1.11.0 [f43a241f] + Downloads v1.7.0 [7b1f6079] + FileWatching v1.11.0 [b77e0a4c] + InteractiveUtils v1.11.0 [ac6e5ff7] + JuliaSyntaxHighlighting v1.12.0 [4af54fe1] + LazyArtifacts v1.11.0 [b27032c2] + LibCURL v0.6.4 [76f85450] + LibGit2 v1.11.0 [8f399da3] + Libdl v1.11.0 [37e2e46d] + LinearAlgebra v1.13.0 [56ddb016] + Logging v1.11.0 [d6f4376e] + Markdown v1.11.0 [a63ad114] + Mmap v1.11.0 [ca575930] + NetworkOptions v1.3.0 [44cfe95a] + Pkg v1.13.0 [de0858da] + Printf v1.11.0 [9a3f8284] + Random v1.11.0 [ea8e919c] + SHA v0.7.0 [9e88b42a] + Serialization v1.11.0 [1a1011a3] + SharedArrays v1.11.0 [6462fe0b] + Sockets v1.11.0 [2f01184e] + SparseArrays v1.13.0 [f489334b] + StyledStrings v1.11.0 [fa267f1f] + TOML v1.0.3 [a4e569a6] + Tar v1.10.0 [cf7118a7] + UUIDs v1.11.0 [4ec0a83e] + Unicode v1.11.0 [e66e0078] + CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] + LibCURL_jll v8.14.1+1 [e37daf67] + LibGit2_jll v1.9.1+0 [29816b5a] + LibSSH2_jll v1.11.3+1 [14a3606d] + MozillaCACerts_jll v2025.7.15 [4536629a] + OpenBLAS_jll v0.3.29+0 [458c3c95] + OpenSSL_jll v3.5.1+0 [efcefdf7] + PCRE2_jll v10.45.0+0 [bea87d4a] + SuiteSparse_jll v7.10.1+0 [83775a58] + Zlib_jll v1.3.1+2 [8e850b90] + libblastrampoline_jll v5.13.1+0 [8e850ede] + nghttp2_jll v1.65.0+0 [3f19e933] + p7zip_jll v17.5.0+2 Installation completed after 9.18s ################################################################################ # Precompilation # Precompiling PkgEval dependencies... Precompiling package dependencies... Precompilation completed after 99.97s ################################################################################ # Testing # Testing ProteinChains Status `/tmp/jl_BbPpIp/Project.toml` [8ed43e74] AssigningSecondaryStructure v0.5.1 [9ac9c2a2] Backboner v0.12.2 [de9282ab] BioStructures v4.6.0 [c3b6d118] BitIntegers v0.3.5 [34da2185] Compat v4.17.0 [e139c391] DynamicStructs v0.2.3 [86223c79] Graphs v1.13.0 [f67ccb44] HDF5 v0.17.2 [842dd82b] InlineStrings v1.4.4 [033835bb] JLD2 v0.5.15 [682c06a0] JSON v0.21.4 [7b2266bf] PeriodicTable v1.2.1 [b8e8f2a5] ProteinChains v0.7.3 [189a3867] Reexport v1.2.2 [90137ffa] StaticArrays v1.9.14 [10745b16] Statistics v1.11.1 [37e2e46d] LinearAlgebra v1.13.0 [8dfed614] Test v1.11.0 Status `/tmp/jl_BbPpIp/Manifest.toml` [79e6a3ab] Adapt v4.3.0 [ec485272] ArnoldiMethod v0.4.0 [8ed43e74] AssigningSecondaryStructure v0.5.1 [a9b6321e] Atomix v1.1.1 [9ac9c2a2] Backboner v0.12.2 [47718e42] BioGenerics v0.1.5 [de9282ab] BioStructures v4.6.0 [3c28c6f8] BioSymbols v5.2.0 [c3b6d118] BitIntegers v0.3.5 [d360d2e6] ChainRulesCore v1.25.2 [944b1d66] CodecZlib v0.7.8 [34da2185] Compat v4.17.0 [864edb3b] DataStructures v0.18.22 [b4f34e82] Distances v0.10.12 [e139c391] DynamicStructs v0.2.3 [5789e2e9] FileIO v1.17.0 [1fa38f19] Format v1.3.7 [46192b85] GPUArraysCore v0.2.0 [86223c79] Graphs v1.13.0 [f67ccb44] HDF5 v0.17.2 [076d061b] HashArrayMappedTries v0.2.0 [d25df0c9] Inflate v0.1.5 [842dd82b] InlineStrings v1.4.4 [033835bb] JLD2 v0.5.15 [692b3bcd] JLLWrappers v1.7.0 [682c06a0] JSON v0.21.4 [63c18a36] KernelAbstractions v0.9.37 [3da0fdf6] MPIPreferences v0.1.11 [1914dd2f] MacroTools v0.5.16 [872c559c] NNlib v0.9.30 [b8a86587] NearestNeighbors v0.4.22 [bac558e1] OrderedCollections v1.8.1 [69de0a69] Parsers v2.8.3 [7b2266bf] PeriodicTable v1.2.1 [aea7be01] PrecompileTools v1.3.2 [21216c6a] Preferences v1.4.3 [b8e8f2a5] ProteinChains v0.7.3 [94ee1d12] Quaternions v0.7.6 [c1ae055f] RealDot v0.1.0 [3cdcf5f2] RecipesBase v1.3.4 [189a3867] Reexport v1.2.2 [ae029012] Requires v1.3.1 [6038ab10] Rotations v1.7.1 [7e506255] ScopedValues v1.4.0 [699a6c99] SimpleTraits v0.9.4 [90137ffa] StaticArrays v1.9.14 [1e83bf80] StaticArraysCore v1.4.3 [10745b16] Statistics v1.11.1 [82ae8749] StatsAPI v1.7.1 [3bb67fe8] TranscodingStreams v0.11.3 [1986cc42] Unitful v1.23.1 [013be700] UnsafeAtomics v0.3.0 [0234f1f7] HDF5_jll v1.14.6+0 [e33a78d0] Hwloc_jll v2.12.1+0 [7cb0a576] MPICH_jll v4.3.1+0 [f1f71cc9] MPItrampoline_jll v5.5.4+0 [9237b28f] MicrosoftMPI_jll v10.1.4+3 [fe0851c0] OpenMPI_jll v5.0.8+0 [477f73a3] libaec_jll v1.1.3+0 [0dad84c5] ArgTools v1.1.2 [56f22d72] Artifacts v1.11.0 [2a0f44e3] Base64 v1.11.0 [ade2ca70] Dates v1.11.0 [8ba89e20] Distributed v1.11.0 [f43a241f] Downloads v1.7.0 [7b1f6079] FileWatching v1.11.0 [b77e0a4c] InteractiveUtils v1.11.0 [ac6e5ff7] JuliaSyntaxHighlighting v1.12.0 [4af54fe1] LazyArtifacts v1.11.0 [b27032c2] LibCURL v0.6.4 [76f85450] LibGit2 v1.11.0 [8f399da3] Libdl v1.11.0 [37e2e46d] LinearAlgebra v1.13.0 [56ddb016] Logging v1.11.0 [d6f4376e] Markdown v1.11.0 [a63ad114] Mmap v1.11.0 [ca575930] NetworkOptions v1.3.0 [44cfe95a] Pkg v1.13.0 [de0858da] Printf v1.11.0 [9a3f8284] Random v1.11.0 [ea8e919c] SHA v0.7.0 [9e88b42a] Serialization v1.11.0 [1a1011a3] SharedArrays v1.11.0 [6462fe0b] Sockets v1.11.0 [2f01184e] SparseArrays v1.13.0 [f489334b] StyledStrings v1.11.0 [fa267f1f] TOML v1.0.3 [a4e569a6] Tar v1.10.0 [8dfed614] Test v1.11.0 [cf7118a7] UUIDs v1.11.0 [4ec0a83e] Unicode v1.11.0 [e66e0078] CompilerSupportLibraries_jll v1.3.0+1 [deac9b47] LibCURL_jll v8.14.1+1 [e37daf67] LibGit2_jll v1.9.1+0 [29816b5a] LibSSH2_jll v1.11.3+1 [14a3606d] MozillaCACerts_jll v2025.7.15 [4536629a] OpenBLAS_jll v0.3.29+0 [458c3c95] OpenSSL_jll v3.5.1+0 [efcefdf7] PCRE2_jll v10.45.0+0 [bea87d4a] SuiteSparse_jll v7.10.1+0 [83775a58] Zlib_jll v1.3.1+2 [8e850b90] libblastrampoline_jll v5.13.1+0 [8e850ede] nghttp2_jll v1.65.0+0 [3f19e933] p7zip_jll v17.5.0+2 Testing Running tests... [ Info: Downloading file from PDB: 1ASS [ Info: Downloading file from PDB: 1ASS [ Info: File exists: 1ASS [ Info: Downloading file from PDB: 3HFM [ Info: Downloading file from PDB: 1EYE [ Info: Downloading file from PDB: 3HFM store: Test Failed at /home/pkgeval/.julia/packages/ProteinChains/8G9xL/test/runtests.jl:103 Expression: structures[1] == structures_copy[1] Evaluated: ProteinStructure{Float64}("1EYE.cif", ProteinChain{Float64}[ProteinChain{Float64}("A", Vector{Atom{Float64}}[[Atom(" N ", "N", [45.592, -10.864, 30.192]), Atom(" CA ", "C", [44.171, -10.936, 30.504]), Atom(" C ", "C", [43.719, -9.688, 31.278]), Atom(" O ", "O", [44.41, -9.176, 32.157]), Atom(" CB ", "C", [43.983, -12.204, 31.344]), Atom(" CG ", "C", [45.353, -12.505, 31.938]), Atom(" CD ", "C", [46.369, -11.645, 31.19])], [Atom(" N ", "N", [42.568, -9.163, 30.911]), Atom(" CA ", "C", [42.02, -7.964, 31.504]), Atom(" C ", "C", [40.707, -8.29, 32.173]), Atom(" O ", "O", [39.837, -8.907, 31.57]), Atom(" CB ", "C", [41.759, -6.95, 30.407]), Atom(" CG1", "C", [40.935, -5.789, 30.923]), Atom(" CG2", "C", [43.083, -6.452, 29.838])], [Atom(" N ", "N", [40.559, -7.894, 33.411]), Atom(" CA ", "C", [39.331, -8.179, 34.136]), Atom(" C ", "C", [38.234, -7.222, 33.742]), Atom(" O ", "O", [38.467, -6.042, 33.56]), Atom(" CB ", "C", [39.503, -8.035, 35.656]), Atom(" CG ", "C", [40.413, -9.094, 36.29]), Atom(" CD ", "C", [39.679, -10.399, 36.285]), Atom(" OE1", "O", [38.574, -10.49, 36.84]), Atom(" NE2", "N", [40.199, -11.331, 35.495])], [Atom(" N ", "N", [37.022, -7.731, 33.632]), Atom(" CA ", "C", [35.899, -6.883, 33.289]), Atom(" C ", "C", [35.022, -6.804, 34.524]), Atom(" O ", "O", [34.542, -7.834, 35.002]), Atom(" CB ", "C", [35.117, -7.396, 32.068]), Atom(" CG1", "C", [33.918, -6.482, 31.765]), Atom(" CG2", "C", [36.08, -7.377, 30.896])], [Atom(" N ", "N", [34.891, -5.58, 35.046]), Atom(" CA ", "C", [34.089, -5.321, 36.231]), Atom(" C ", "C", [32.823, -4.6, 35.794]), Atom(" O ", "O", [32.847, -3.474, 35.32]), Atom(" CB ", "C", [34.915, -4.522, 37.26]), Atom(" CG ", "C", [34.107, -4.064, 38.464]), Atom(" SD ", "S", [35.026, -2.824, 39.457]), Atom(" CE ", "C", [36.23, -3.896, 40.272])], [Atom(" N ", "N", [31.698, -5.282, 35.91]), Atom(" CA ", "C", [30.429, -4.701, 35.496]), Atom(" C ", "C", [29.786, -3.928, 36.616]), Atom(" O ", "O", [29.772, -4.39, 37.744])], [Atom(" N ", "N", [29.276, -2.755, 36.279]), Atom(" CA ", "C", [28.652, -1.824, 37.218]), Atom(" C ", "C", [27.193, -2.131, 37.518]), Atom(" O ", "O", [26.371, -2.245, 36.597]), Atom(" CB ", "C", [28.765, -0.384, 36.695]), Atom(" CG1", "C", [28.094, 0.588, 37.668]), Atom(" CG2", "C", [30.235, -0.028, 36.566])], [Atom(" N ", "N", [26.879, -2.238, 38.819]), Atom(" CA ", "C", [25.512, -2.482, 39.238]), Atom(" C ", "C", [25.129, -1.444, 40.276]), Atom(" O ", "O", [25.42, -1.599, 41.46]), Atom(" CB ", "C", [25.308, -3.917, 39.771]), Atom(" CG ", "C", [23.89, -4.241, 40.253]), Atom(" CD1", "C", [22.85, -4.0, 39.164]), Atom(" CD2", "C", [23.879, -5.709, 40.672])], [Atom(" N ", "N", [24.53, -0.356, 39.792]), Atom(" CA ", "C", [24.127, 0.754, 40.647]), Atom(" C ", "C", [22.823, 0.409, 41.287]), Atom(" O ", "O", [21.805, 0.289, 40.598]), Atom(" CB ", "C", [23.945, 2.064, 39.859]), Atom(" CG ", "C", [25.258, 2.783, 39.709]), Atom(" OD1", "O", [25.628, 3.205, 38.598]), Atom(" ND2", "N", [25.971, 2.892, 40.818])], [Atom(" N ", "N", [22.866, 0.219, 42.591]), Atom(" CA ", "C", [21.639, -0.157, 43.253]), Atom(" C ", "C", [20.898, 1.039, 43.832]), Atom(" O ", "O", [19.894, 0.894, 44.535]), Atom(" CB ", "C", [21.834, -1.31, 44.228]), Atom(" CG1", "C", [22.197, -2.582, 43.471]), Atom(" CG2", "C", [23.022, -0.961, 45.095])] … [Atom(" N ", "N", [37.989, -9.16, 23.063]), Atom(" CA ", "C", [38.124, -10.295, 22.151]), Atom(" C ", "C", [38.848, -9.86, 20.86]), Atom(" O ", "O", [39.727, -10.564, 20.332]), Atom(" CB ", "C", [36.752, -10.874, 21.812]), Atom(" CG ", "C", [36.053, -11.495, 23.012]), Atom(" CD ", "C", [34.706, -12.121, 22.697]), Atom(" CE ", "C", [34.155, -12.927, 23.876]), Atom(" NZ ", "N", [32.702, -13.16, 23.781])], [Atom(" N ", "N", [38.496, -8.66, 20.365]), Atom(" CA ", "C", [39.134, -8.148, 19.15]), Atom(" C ", "C", [40.644, -7.98, 19.356]), Atom(" O ", "O", [41.487, -8.405, 18.556]), Atom(" CB ", "C", [38.531, -6.811, 18.641]), Atom(" CG1", "C", [39.378, -6.216, 17.498]), Atom(" CG2", "C", [37.098, -7.001, 18.112])], [Atom(" N ", "N", [40.995, -7.304, 20.445]), Atom(" CA ", "C", [42.388, -7.052, 20.727]), Atom(" C ", "C", [43.148, -8.358, 20.789]), Atom(" O ", "O", [44.23, -8.5, 20.225]), Atom(" CB ", "C", [42.578, -6.294, 22.031]), Atom(" CG1", "C", [44.071, -6.247, 22.303]), Atom(" CG2", "C", [42.046, -4.886, 21.856])], [Atom(" N ", "N", [42.575, -9.326, 21.482]), Atom(" CA ", "C", [43.248, -10.594, 21.615]), Atom(" C ", "C", [43.357, -11.322, 20.291]), Atom(" O ", "O", [44.373, -11.958, 20.012]), Atom(" CB ", "C", [42.537, -11.513, 22.612]), Atom(" CG ", "C", [42.788, -13.005, 22.307]), Atom(" CD ", "C", [42.355, -13.909, 23.436]), Atom(" OE1", "O", [42.644, -15.101, 23.48]), Atom(" OE2", "O", [41.642, -13.283, 24.357])], [Atom(" N ", "N", [42.304, -11.246, 19.485]), Atom(" CA ", "C", [42.379, -11.895, 18.198]), Atom(" C ", "C", [43.415, -11.196, 17.326]), Atom(" O ", "O", [44.22, -11.828, 16.648]), Atom(" CB ", "C", [41.013, -11.924, 17.545])], [Atom(" N ", "N", [43.431, -9.879, 17.345]), Atom(" CA ", "C", [44.381, -9.16, 16.531]), Atom(" C ", "C", [45.806, -9.371, 17.009]), Atom(" O ", "O", [46.704, -9.767, 16.266]), Atom(" CB ", "C", [44.025, -7.67, 16.532]), Atom(" CG ", "C", [44.88, -6.726, 15.73]), Atom(" CD1", "C", [46.225, -6.569, 15.787]), Atom(" CD2", "C", [44.408, -5.724, 14.809]), Atom(" NE1", "N", [46.624, -5.568, 14.921]), Atom(" CE2", "C", [45.524, -5.021, 14.322]), Atom(" CE3", "C", [43.147, -5.354, 14.352]), Atom(" CZ2", "C", [45.403, -3.97, 13.403]), Atom(" CZ3", "C", [43.034, -4.318, 13.452]), Atom(" CH2", "C", [44.15, -3.639, 12.968])], [Atom(" N ", "N", [46.034, -9.088, 18.275]), Atom(" CA ", "C", [47.37, -9.216, 18.833]), Atom(" C ", "C", [47.938, -10.622, 18.875]), Atom(" O ", "O", [49.161, -10.796, 18.923]), Atom(" CB ", "C", [47.486, -8.493, 20.186]), Atom(" CG ", "C", [47.192, -7.003, 20.009]), Atom(" SD ", "S", [48.416, -6.189, 18.944]), Atom(" CE ", "C", [49.893, -6.346, 19.994])], [Atom(" N ", "N", [47.069, -11.625, 18.859]), Atom(" CA ", "C", [47.586, -12.97, 18.894]), Atom(" C ", "C", [47.728, -13.599, 17.501]), Atom(" O ", "O", [48.086, -14.769, 17.389])], [Atom(" N ", "N", [47.437, -12.858, 16.424]), Atom(" CA ", "C", [47.491, -13.459, 15.091]), Atom(" C ", "C", [48.831, -13.749, 14.46]), Atom(" O ", "O", [49.139, -13.268, 13.373]), Atom(" CB ", "C", [46.446, -13.005, 14.097])], [Atom(" N ", "N", [49.588, -14.581, 15.169]), Atom(" CA ", "C", [50.896, -15.088, 14.785]), Atom(" C ", "C", [51.547, -14.223, 13.729]), Atom(" O ", "O", [52.334, -14.744, 12.946]), Atom(" CB ", "C", [50.811, -16.546, 14.279]), Atom(" CG ", "C", [49.743, -17.398, 15.0]), Atom(" CD ", "C", [48.321, -17.015, 14.668]), Atom(" OE1", "O", [48.007, -16.446, 13.628]), Atom(" OE2", "O", [47.486, -17.241, 15.663])]], "PVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGETSRVIPVVKELAAQGITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLLAEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGLGFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVISALAALHGAWGVRVHDVRASVDAIKVVEAWMGAE", [5, 6, 7, 8, 9, 10, 11, 12, 13, 14 … 265, 266, 267, 268, 269, 270, 271, 272, 273, 274]; ins_codes = Indexable([' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ' … ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ']), rand3 = [0.370096806137336, 0.2395126440135651, 0.7354467494143964])], Atom{Float64}[Atom("MG ", "MG", [26.41, 4.093, 37.074]), Atom(" N5 ", "N", [33.571, 5.592, 39.124]), Atom(" C6 ", "C", [32.382, 5.711, 39.641]), Atom(" C7 ", "C", [31.932, 4.899, 40.822]), Atom(" N8 ", "N", [32.933, 3.996, 41.356]), Atom(" N1 ", "N", [35.068, 3.05, 41.248]), Atom(" C2 ", "C", [36.312, 2.945, 40.648]), Atom(" N2 ", "N", [37.129, 2.039, 41.258]), Atom(" N3 ", "N", [36.665, 3.672, 39.585]), Atom(" C4 ", "C", [35.782, 4.536, 39.093]) … Atom(" O ", "O", [24.822, -4.276, 25.91]), Atom(" O ", "O", [19.743, -9.789, 52.842]), Atom(" O ", "O", [15.172, -1.332, 35.294]), Atom(" O ", "O", [22.239, -19.641, 49.383]), Atom(" O ", "O", [10.475, -2.798, 44.144]), Atom(" O ", "O", [19.794, -6.903, 32.81]), Atom(" O ", "O", [15.916, -8.375, 52.217]), Atom(" O ", "O", [44.001, 3.407, 58.738]), Atom(" O ", "O", [18.329, -3.02, 45.545]), Atom(" O ", "O", [20.189, 5.805, 30.305])]) == ProteinStructure{Float64}("3HFM.cif", ProteinChain{Float64}[ProteinChain{Float64}("H", Vector{Atom{Float64}}[[Atom(" N ", "N", [36.095, 31.416, 64.219]), Atom(" CA ", "C", [35.745, 30.294, 65.089]), Atom(" C ", "C", [35.676, 28.977, 64.308]), Atom(" O ", "O", [36.437, 28.03, 64.541]), Atom(" CB ", "C", [34.434, 30.621, 65.838]), Atom(" CG ", "C", [34.454, 29.811, 67.136]), Atom(" OD1", "O", [34.35, 28.571, 67.099]), Atom(" OD2", "O", [34.596, 30.508, 68.164])], [Atom(" N ", "N", [34.736, 28.937, 63.394]), Atom(" CA ", "C", [34.445, 27.829, 62.487]), Atom(" C ", "C", [34.537, 28.514, 61.096]), Atom(" O ", "O", [33.862, 29.536, 60.885]), Atom(" CB ", "C", [33.127, 27.1, 62.7]), Atom(" CG1", "C", [32.994, 25.915, 61.739]), Atom(" CG2", "C", [32.908, 26.668, 64.132])], [Atom(" N ", "N", [35.364, 27.918, 60.266]), Atom(" CA ", "C", [35.558, 28.485, 58.907]), Atom(" C ", "C", [35.705, 27.363, 57.891]), Atom(" O ", "O", [36.446, 26.385, 58.057]), Atom(" CB ", "C", [36.723, 29.457, 58.984]), Atom(" CG ", "C", [36.898, 30.468, 57.874]), Atom(" CD ", "C", [38.246, 31.17, 57.987]), Atom(" OE1", "O", [38.864, 31.196, 59.057]), Atom(" NE2", "N", [38.664, 31.727, 56.85])], [Atom(" N ", "N", [34.959, 27.53, 56.817]), Atom(" CA ", "C", [34.852, 26.655, 55.665]), Atom(" C ", "C", [35.282, 27.435, 54.416]), Atom(" O ", "O", [34.646, 28.466, 54.147]), Atom(" CB ", "C", [33.412, 26.214, 55.51]), Atom(" CG ", "C", [32.63, 25.39, 56.484]), Atom(" CD1", "C", [32.756, 25.819, 57.94]), Atom(" CD2", "C", [31.155, 25.527, 56.04])], [Atom(" N ", "N", [36.271, 26.931, 53.727]), Atom(" CA ", "C", [36.845, 27.534, 52.527]), Atom(" C ", "C", [36.992, 26.738, 51.264]), Atom(" O ", "O", [38.095, 26.22, 50.985]), Atom(" CB ", "C", [38.308, 27.935, 53.002]), Atom(" CG ", "C", [38.521, 27.204, 54.307]), Atom(" CD ", "C", [39.812, 27.006, 54.994]), Atom(" OE1", "O", [40.868, 27.59, 54.745]), Atom(" NE2", "N", [39.764, 26.087, 55.981])], [Atom(" N ", "N", [35.939, 26.637, 50.489]), Atom(" CA ", "C", [35.869, 25.916, 49.224]), Atom(" C ", "C", [37.001, 26.142, 48.244]), Atom(" O ", "O", [37.427, 27.29, 48.033]), Atom(" CB ", "C", [34.611, 26.371, 48.464]), Atom(" CG ", "C", [34.149, 27.794, 48.887]), Atom(" CD ", "C", [32.653, 27.841, 48.682]), Atom(" OE1", "O", [32.163, 27.151, 47.8]), Atom(" OE2", "O", [32.06, 28.589, 49.457])], [Atom(" N ", "N", [37.46, 25.047, 47.653]), Atom(" CA ", "C", [38.546, 25.091, 46.676]), Atom(" C ", "C", [38.331, 24.142, 45.493]), Atom(" O ", "O", [37.54, 23.195, 45.554]), Atom(" CB ", "C", [39.902, 24.729, 47.288]), Atom(" OG ", "O", [40.649, 24.069, 46.252])], [Atom(" N ", "N", [39.083, 24.445, 44.445]), Atom(" CA ", "C", [39.012, 23.638, 43.216]), Atom(" C ", "C", [39.384, 24.534, 42.032]), Atom(" O ", "O", [39.893, 25.643, 42.251])], [Atom(" N ", "N", [39.115, 24.014, 40.845]), Atom(" CA ", "C", [39.391, 24.68, 39.585]), Atom(" C ", "C", [38.474, 25.844, 39.27]), Atom(" O ", "O", [37.493, 26.132, 39.961]), Atom(" CB ", "C", [39.23, 23.571, 38.536]), Atom(" CG ", "C", [38.087, 22.778, 39.138]), Atom(" CD ", "C", [38.504, 22.682, 40.605])], [Atom(" N ", "N", [38.856, 26.492, 38.177]), Atom(" CA ", "C", [38.132, 27.66, 37.66]), Atom(" C ", "C", [37.327, 27.194, 36.449]), Atom(" O ", "O", [36.199, 27.671, 36.222]), Atom(" CB ", "C", [39.07, 28.804, 37.323]), Atom(" OG ", "O", [39.712, 29.345, 38.47])] … [Atom(" N ", "N", [49.789, 41.195, 35.988]), Atom(" CA ", "C", [50.186, 42.403, 35.269]), Atom(" C ", "C", [50.236, 43.619, 36.207]), Atom(" O ", "O", [49.396, 43.9, 37.057]), Atom(" CB ", "C", [49.309, 42.703, 34.037]), Atom(" CG1", "C", [49.774, 43.958, 33.286]), Atom(" CG2", "C", [49.203, 41.533, 33.079])], [Atom(" N ", "N", [51.319, 44.316, 35.949]), Atom(" CA ", "C", [51.672, 45.569, 36.646]), Atom(" C ", "C", [51.36, 46.598, 35.555]), Atom(" O ", "O", [51.903, 46.425, 34.436]), Atom(" CB ", "C", [53.072, 45.464, 37.23]), Atom(" CG ", "C", [52.946, 45.35, 38.755]), Atom(" OD1", "O", [53.704, 45.965, 39.512]), Atom(" OD2", "O", [52.007, 44.604, 39.125])], [Atom(" N ", "N", [50.51, 47.573, 35.871]), Atom(" CA ", "C", [50.191, 48.555, 34.83]), Atom(" C ", "C", [49.947, 49.956, 35.375]), Atom(" O ", "O", [49.262, 50.297, 36.318]), Atom(" CB ", "C", [49.015, 48.176, 33.936]), Atom(" CG ", "C", [49.132, 48.81, 32.537]), Atom(" CD ", "C", [50.427, 48.383, 31.85]), Atom(" CE ", "C", [50.262, 48.378, 30.341]), Atom(" NZ ", "N", [51.534, 48.072, 29.645])], [Atom(" N ", "N", [50.602, 50.805, 34.645]), Atom(" CA ", "C", [50.839, 52.197, 34.567]), Atom(" C ", "C", [49.695, 53.113, 34.177]), Atom(" O ", "O", [48.94, 52.911, 33.208]), Atom(" CB ", "C", [51.926, 52.364, 33.447]), Atom(" CG ", "C", [51.641, 53.461, 32.423]), Atom(" CD ", "C", [51.795, 52.962, 30.983]), Atom(" CE ", "C", [50.824, 51.84, 30.655]), Atom(" NZ ", "N", [50.844, 51.457, 29.215])], [Atom(" N ", "N", [49.604, 54.161, 34.978]), Atom(" CA ", "C", [48.59, 55.209, 34.802]), Atom(" C ", "C", [49.096, 56.424, 35.587]), Atom(" O ", "O", [48.658, 56.79, 36.673]), Atom(" CB ", "C", [47.144, 54.753, 35.142]), Atom(" CG1", "C", [46.18, 55.965, 35.137]), Atom(" CG2", "C", [47.111, 53.963, 36.485]), Atom(" CD1", "C", [46.478, 57.116, 34.139])], [Atom(" N ", "N", [50.082, 56.978, 34.91]), Atom(" CA ", "C", [50.757, 58.213, 35.425]), Atom(" C ", "C", [49.964, 59.176, 34.514]), Atom(" O ", "O", [50.18, 59.115, 33.286]), Atom(" CB ", "C", [52.26, 58.075, 35.335]), Atom(" CG1", "C", [53.038, 58.843, 36.408]), Atom(" CG2", "C", [52.702, 56.608, 35.365])], [Atom(" N ", "N", [49.082, 59.94, 35.137]), Atom(" CA ", "C", [48.221, 60.903, 34.389]), Atom(" C ", "C", [49.086, 61.707, 33.428]), Atom(" O ", "O", [49.617, 62.8, 33.649]), Atom(" CB ", "C", [47.442, 61.613, 35.46]), Atom(" CG ", "C", [47.506, 60.744, 36.687]), Atom(" CD ", "C", [48.821, 59.986, 36.584])], [Atom(" N ", "N", [49.228, 61.078, 32.27]), Atom(" CA ", "C", [50.021, 61.547, 31.133]), Atom(" C ", "C", [49.162, 61.898, 29.944]), Atom(" O ", "O", [47.927, 61.764, 29.967]), Atom(" CB ", "C", [51.044, 60.444, 30.862]), Atom(" CG ", "C", [51.574, 60.092, 29.504]), Atom(" CD ", "C", [52.25, 58.748, 29.46]), Atom(" NE ", "N", [51.329, 57.662, 29.794]), Atom(" CZ ", "C", [51.162, 56.56, 29.053]), Atom(" NH1", "N", [51.934, 56.291, 28.0]), Atom(" NH2", "N", [50.167, 55.716, 29.364])], [Atom(" N ", "N", [49.872, 62.353, 28.919]), Atom(" CA ", "C", [49.271, 62.773, 27.669]), Atom(" C ", "C", [50.271, 62.986, 26.531]), Atom(" O ", "O", [51.271, 63.714, 26.562]), Atom(" CB ", "C", [48.536, 64.12, 27.909]), Atom(" CG ", "C", [49.612, 65.147, 28.297]), Atom(" OD1", "O", [49.904, 66.064, 27.518]), Atom(" OD2", "O", [50.146, 64.957, 29.416])], [Atom(" N ", "N", [49.883, 62.281, 25.492]), Atom(" CA ", "C", [50.552, 62.223, 24.191]), Atom(" C ", "C", [50.794, 63.647, 23.689]), Atom(" O ", "O", [49.778, 64.382, 23.559]), Atom(" CB ", "C", [49.631, 61.422, 23.295]), Atom(" SG ", "S", [50.012, 59.694, 22.973]), Atom(" OXT", "O", [51.967, 63.991, 23.441])]], "DVQLQESGPSLVKPSQTLSLTCSVTGDSITSDYWSWIRKFPGNRLEYMGYVSYSGSTYYNPSLKSRISITRDTSKNQYYLDLNSVTTEDTATYYCANWDGDYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDC", [1, 2, 3, 4, 5, 6, 7, 8, 9, 10 … 206, 207, 208, 209, 210, 211, 212, 213, 214, 215]; ins_codes = Indexable([' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ' … ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ']), rand3 = [0.41686041372011684, 0.8908993212099702, 0.6027261074313336], taxid = -1, dict = Dict("a" => 1, "b" => 2), vecs = [[1, 2, 3], [4, 5]]), ProteinChain{Float64}("L", Vector{Atom{Float64}}[[Atom(" N ", "N", [9.718, 19.693, 42.129]), Atom(" CA ", "C", [9.822, 19.54, 43.611]), Atom(" C ", "C", [8.785, 20.459, 44.25]), Atom(" O ", "O", [7.582, 20.251, 43.934]), Atom(" CB ", "C", [11.27, 19.694, 43.974]), Atom(" CG ", "C", [12.09, 20.763, 43.302]), Atom(" OD1", "O", [11.684, 21.923, 43.122]), Atom(" OD2", "O", [13.242, 20.408, 42.935])], [Atom(" N ", "N", [9.156, 21.411, 45.084]), Atom(" CA ", "C", [8.185, 22.322, 45.717]), Atom(" C ", "C", [8.644, 23.772, 45.576]), Atom(" O ", "O", [9.803, 24.075, 45.917]), Atom(" CB ", "C", [7.917, 21.969, 47.222]), Atom(" CG1", "C", [6.989, 23.059, 47.818]), Atom(" CG2", "C", [9.221, 21.781, 48.04]), Atom(" CD1", "C", [7.191, 23.372, 49.312])], [Atom(" N ", "N", [7.75, 24.625, 45.101]), Atom(" CA ", "C", [8.059, 26.04, 44.9]), Atom(" C ", "C", [7.499, 27.01, 45.927]), Atom(" O ", "O", [6.475, 26.814, 46.568]), Atom(" CB ", "C", [7.585, 26.454, 43.483]), Atom(" CG1", "C", [8.194, 25.566, 42.412]), Atom(" CG2", "C", [6.071, 26.512, 43.404])], [Atom(" N ", "N", [8.255, 28.084, 46.02]), Atom(" CA ", "C", [8.071, 29.244, 46.882]), Atom(" C ", "C", [8.083, 30.473, 45.968]), Atom(" O ", "O", [9.064, 30.624, 45.223]), Atom(" CB ", "C", [9.189, 29.239, 47.911]), Atom(" CG ", "C", [9.177, 28.338, 49.117]), Atom(" CD1", "C", [8.679, 26.932, 48.834]), Atom(" CD2", "C", [10.621, 28.215, 49.632])], [Atom(" N ", "N", [7.052, 31.277, 46.044]), Atom(" CA ", "C", [6.917, 32.484, 45.22]), Atom(" C ", "C", [7.073, 33.831, 45.895]), Atom(" O ", "O", [6.11, 34.442, 46.406]), Atom(" CB ", "C", [5.507, 32.382, 44.477]), Atom(" OG1", "O", [5.673, 31.284, 43.528]), Atom(" CG2", "C", [5.038, 33.667, 43.806])], [Atom(" N ", "N", [8.301, 34.327, 45.883]), Atom(" CA ", "C", [8.659, 35.602, 46.481]), Atom(" C ", "C", [8.197, 36.838, 45.719]), Atom(" O ", "O", [8.581, 37.125, 44.588]), Atom(" CB ", "C", [10.17, 35.732, 46.714]), Atom(" CG ", "C", [10.51, 35.687, 48.201]), Atom(" CD ", "C", [12.016, 35.643, 48.372]), Atom(" OE1", "O", [12.729, 35.302, 47.427]), Atom(" NE2", "N", [12.477, 35.988, 49.568])], [Atom(" N ", "N", [7.366, 37.562, 46.426]), Atom(" CA ", "C", [6.718, 38.811, 46.071]), Atom(" C ", "C", [7.041, 39.815, 47.189]), Atom(" O ", "O", [6.958, 39.42, 48.37]), Atom(" CB ", "C", [5.212, 38.66, 45.956]), Atom(" OG ", "O", [4.542, 39.777, 46.53])], [Atom(" N ", "N", [7.386, 41.038, 46.856]), Atom(" CA ", "C", [7.52, 41.604, 45.518]), Atom(" C ", "C", [8.932, 41.399, 44.992]), Atom(" O ", "O", [9.824, 41.014, 45.775]), Atom(" CB ", "C", [7.166, 43.067, 45.744]), Atom(" CG ", "C", [7.709, 43.363, 47.113]), Atom(" CD ", "C", [7.705, 42.05, 47.879])], [Atom(" N ", "N", [9.106, 41.653, 43.707]), Atom(" CA ", "C", [10.411, 41.496, 43.034]), Atom(" C ", "C", [11.45, 42.412, 43.67]), Atom(" O ", "O", [12.433, 41.868, 44.228]), Atom(" CB ", "C", [10.276, 41.683, 41.533])], [Atom(" N ", "N", [11.245, 43.717, 43.593]), Atom(" CA ", "C", [12.176, 44.677, 44.185]), Atom(" C ", "C", [11.397, 45.582, 45.153]), Atom(" O ", "O", [10.16, 45.597, 45.171]), Atom(" CB ", "C", [12.991, 45.587, 43.202]), Atom(" OG1", "O", [12.038, 46.033, 42.186]), Atom(" CG2", "C", [14.231, 44.934, 42.595])] … [Atom(" N ", "N", [24.973, 66.277, 30.72]), Atom(" CA ", "C", [26.312, 66.406, 31.307]), Atom(" C ", "C", [27.123, 66.047, 30.037]), Atom(" O ", "O", [27.005, 64.842, 29.69]), Atom(" CB ", "C", [26.583, 65.456, 32.493]), Atom(" CG1", "C", [25.599, 65.711, 33.661]), Atom(" CG2", "C", [28.06, 65.563, 32.997]), Atom(" CD1", "C", [26.112, 66.764, 34.698])], [Atom(" N ", "N", [27.82, 66.972, 29.416]), Atom(" CA ", "C", [28.558, 66.612, 28.185]), Atom(" C ", "C", [30.063, 66.522, 28.29]), Atom(" O ", "O", [30.743, 67.57, 28.344]), Atom(" CB ", "C", [28.128, 67.636, 27.096]), Atom(" CG1", "C", [28.693, 67.307, 25.728]), Atom(" CG2", "C", [26.623, 67.779, 27.062])], [Atom(" N ", "N", [30.59, 65.304, 28.294]), Atom(" CA ", "C", [32.042, 65.117, 28.389]), Atom(" C ", "C", [32.669, 64.665, 27.08]), Atom(" O ", "O", [32.586, 63.478, 26.727]), Atom(" CB ", "C", [32.433, 64.119, 29.47]), Atom(" CG ", "C", [32.35, 64.539, 30.909]), Atom(" CD ", "C", [32.853, 65.935, 31.252]), Atom(" CE ", "C", [33.442, 65.958, 32.65]), Atom(" NZ ", "N", [33.183, 67.218, 33.373])], [Atom(" N ", "N", [33.296, 65.608, 26.401]), Atom(" CA ", "C", [33.949, 65.303, 25.122]), Atom(" C ", "C", [35.438, 65.63, 25.11]), Atom(" O ", "O", [36.066, 66.123, 26.054]), Atom(" CB ", "C", [33.249, 66.049, 23.985]), Atom(" OG ", "O", [34.058, 66.125, 22.83])], [Atom(" N ", "N", [35.964, 65.318, 23.944]), Atom(" CA ", "C", [37.356, 65.5, 23.553]), Atom(" C ", "C", [37.387, 65.256, 22.034]), Atom(" O ", "O", [36.429, 64.645, 21.525]), Atom(" CB ", "C", [38.314, 64.551, 24.27]), Atom(" CG ", "C", [38.331, 63.232, 23.539]), Atom(" CD1", "C", [39.302, 62.99, 22.567]), Atom(" CD2", "C", [37.372, 62.269, 23.821]), Atom(" CE1", "C", [39.332, 61.79, 21.872]), Atom(" CE2", "C", [37.387, 61.049, 23.133]), Atom(" CZ ", "C", [38.373, 60.819, 22.158])], [Atom(" N ", "N", [38.435, 65.712, 21.391]), Atom(" CA ", "C", [38.586, 65.52, 19.921]), Atom(" C ", "C", [39.976, 64.873, 19.786]), Atom(" O ", "O", [40.82, 65.287, 20.617]), Atom(" CB ", "C", [38.347, 66.77, 19.114]), Atom(" CG ", "C", [39.206, 67.966, 19.461]), Atom(" OD1", "O", [40.341, 68.115, 18.968]), Atom(" ND2", "N", [38.675, 68.842, 20.32])], [Atom(" N ", "N", [40.162, 63.949, 18.854]), Atom(" CA ", "C", [41.519, 63.342, 18.761]), Atom(" C ", "C", [42.472, 64.475, 18.358]), Atom(" O ", "O", [42.57, 64.838, 17.179]), Atom(" CB ", "C", [41.645, 62.122, 17.897]), Atom(" CG ", "C", [40.55, 61.632, 16.994]), Atom(" CD ", "C", [40.974, 60.614, 15.982]), Atom(" NE ", "N", [41.326, 61.205, 14.694]), Atom(" CZ ", "C", [42.552, 61.577, 14.328]), Atom(" NH1", "N", [43.633, 61.228, 15.026]), Atom(" NH2", "N", [42.727, 62.348, 13.25])], [Atom(" N ", "N", [43.127, 64.999, 19.392]), Atom(" CA ", "C", [44.099, 66.117, 19.191]), Atom(" C ", "C", [45.494, 65.477, 19.406]), Atom(" O ", "O", [46.543, 66.127, 19.55]), Atom(" CB ", "C", [43.772, 67.41, 19.863]), Atom(" CG ", "C", [43.315, 67.704, 21.242]), Atom(" OD1", "O", [43.966, 68.419, 22.046]), Atom(" ND2", "N", [42.14, 67.202, 21.661])], [Atom(" N ", "N", [45.451, 64.151, 19.402]), Atom(" CA ", "C", [46.549, 63.221, 19.524]), Atom(" C ", "C", [47.658, 63.222, 20.551]), Atom(" O ", "O", [47.716, 63.776, 21.654]), Atom(" CB ", "C", [47.366, 63.475, 18.183]), Atom(" CG ", "C", [48.05, 62.281, 17.544]), Atom(" CD ", "C", [49.43, 62.532, 16.988]), Atom(" OE1", "O", [50.27, 61.647, 16.867]), Atom(" OE2", "O", [49.594, 63.742, 16.68])], [Atom(" N ", "N", [48.69, 62.497, 20.108]), Atom(" CA ", "C", [49.955, 62.2, 20.718]), Atom(" C ", "C", [51.06, 63.247, 20.679]), Atom(" O ", "O", [52.172, 62.747, 21.058]), Atom(" CB ", "C", [50.503, 60.863, 20.16]), Atom(" SG ", "S", [49.654, 59.473, 20.956]), Atom(" OXT", "O", [50.81, 64.41, 20.336])]], "DIVLTQSPATLSVTPGNSVSLSCRASQSIGNNLHWYQQKSHESPRLLIKYASQSISGIPSRFSGSGSGTDFTLSINSVETEDFGMYFCQQSNSWPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC", [1, 2, 3, 4, 5, 6, 7, 8, 9, 10 … 205, 206, 207, 208, 209, 210, 211, 212, 213, 214]; ins_codes = Indexable([' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ' … ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ']), rand3 = [0.30205379383792796, 0.42361987619923147, 0.8446257735868723], taxid = -1, dict = Dict("a" => 1, "b" => 2), vecs = [[1, 2, 3], [4, 5]]), ProteinChain{Float64}("Y", Vector{Atom{Float64}}[[Atom(" N ", "N", [6.748, 19.824, 82.853]), Atom(" CA ", "C", [5.401, 19.65, 82.325]), Atom(" C ", "C", [5.214, 18.24, 81.766]), Atom(" O ", "O", [6.147, 17.574, 81.303]), Atom(" CB ", "C", [5.059, 20.624, 81.204]), Atom(" CG ", "C", [3.601, 20.622, 80.752]), Atom(" CD ", "C", [3.287, 21.788, 79.823]), Atom(" CE ", "C", [1.8, 22.086, 79.765]), Atom(" NZ ", "N", [1.038, 20.807, 79.699])], [Atom(" N ", "N", [3.957, 17.854, 81.843]), Atom(" CA ", "C", [3.502, 16.538, 81.354]), Atom(" C ", "C", [2.251, 16.806, 80.511]), Atom(" O ", "O", [1.156, 17.089, 81.006]), Atom(" CB ", "C", [3.375, 15.562, 82.51]), Atom(" CG1", "C", [2.53, 14.345, 82.169]), Atom(" CG2", "C", [4.771, 15.161, 82.974])], [Atom(" N ", "N", [2.488, 16.715, 79.221]), Atom(" CA ", "C", [1.546, 16.917, 78.138]), Atom(" C ", "C", [0.413, 15.901, 78.128]), Atom(" O ", "O", [0.614, 14.79, 78.609]), Atom(" CB ", "C", [2.299, 16.831, 76.79]), Atom(" CG ", "C", [3.123, 18.056, 76.524]), Atom(" CD1", "C", [2.591, 19.075, 75.739]), Atom(" CD2", "C", [4.397, 18.182, 77.054]), Atom(" CE1", "C", [3.318, 20.219, 75.475]), Atom(" CE2", "C", [5.144, 19.332, 76.795]), Atom(" CZ ", "C", [4.597, 20.353, 76.001])], [Atom(" N ", "N", [-0.699, 16.319, 77.58]), Atom(" CA ", "C", [-1.91, 15.479, 77.462]), Atom(" C ", "C", [-2.033, 15.16, 75.962]), Atom(" O ", "O", [-2.304, 16.062, 75.158])], [Atom(" N ", "N", [-1.825, 13.905, 75.633]), Atom(" CA ", "C", [-1.889, 13.421, 74.248]), Atom(" C ", "C", [-2.242, 14.531, 73.263]), Atom(" O ", "O", [-1.367, 14.985, 72.503]), Atom(" CB ", "C", [-2.833, 12.214, 74.096]), Atom(" CG ", "C", [-2.748, 11.543, 72.726]), Atom(" CD ", "C", [-3.37, 10.204, 72.65]), Atom(" NE ", "N", [-4.799, 10.217, 72.443]), Atom(" CZ ", "C", [-5.434, 10.554, 71.328]), Atom(" NH1", "N", [-4.816, 10.92, 70.214]), Atom(" NH2", "N", [-6.771, 10.533, 71.31])], [Atom(" N ", "N", [-3.477, 14.969, 73.247]), Atom(" CA ", "C", [-3.953, 16.022, 72.35]), Atom(" C ", "C", [-3.127, 17.301, 72.437]), Atom(" O ", "O", [-2.741, 17.893, 71.414]), Atom(" CB ", "C", [-5.427, 16.296, 72.627]), Atom(" SG ", "S", [-6.57, 15.134, 71.872])], [Atom(" N ", "N", [-2.868, 17.732, 73.658]), Atom(" CA ", "C", [-2.077, 18.954, 73.91]), Atom(" C ", "C", [-0.916, 18.927, 72.923]), Atom(" O ", "O", [-0.887, 19.574, 71.872]), Atom(" CB ", "C", [-1.564, 18.99, 75.335]), Atom(" CG ", "C", [-1.54, 20.315, 76.067]), Atom(" CD ", "C", [-1.037, 20.318, 77.473]), Atom(" OE1", "O", [-0.918, 19.336, 78.179]), Atom(" OE2", "O", [-0.746, 21.484, 77.842])], [Atom(" N ", "N", [0.057, 18.118, 73.305]), Atom(" CA ", "C", [1.284, 17.878, 72.562]), Atom(" C ", "C", [0.99, 17.684, 71.075]), Atom(" O ", "O", [1.679, 18.272, 70.223]), Atom(" CB ", "C", [1.977, 16.654, 73.174]), Atom(" CG ", "C", [3.32, 16.318, 72.538]), Atom(" CD1", "C", [4.415, 17.07, 73.275]), Atom(" CD2", "C", [3.541, 14.82, 72.609])], [Atom(" N ", "N", [-0.014, 16.87, 70.795]), Atom(" CA ", "C", [-0.376, 16.612, 69.391]), Atom(" C ", "C", [-0.407, 17.936, 68.631]), Atom(" O ", "O", [0.244, 18.05, 67.581]), Atom(" CB ", "C", [-1.675, 15.844, 69.275])], [Atom(" N ", "N", [-1.14, 18.893, 69.16]), Atom(" CA ", "C", [-1.283, 20.209, 68.536]), Atom(" C ", "C", [-0.032, 21.059, 68.555]), Atom(" O ", "O", [0.277, 21.655, 67.504]), Atom(" CB ", "C", [-2.463, 20.948, 69.164])] … [Atom(" N ", "N", [-0.71, 4.974, 63.138]), Atom(" CA ", "C", [-0.348, 6.058, 64.099]), Atom(" C ", "C", [-1.444, 7.106, 64.133]), Atom(" O ", "O", [-1.551, 7.839, 65.148]), Atom(" CB ", "C", [1.087, 6.514, 63.821]), Atom(" CG1", "C", [2.11, 5.632, 64.535]), Atom(" CG2", "C", [1.381, 6.567, 62.341])], [Atom(" N ", "N", [-2.23, 7.141, 63.062]), Atom(" CA ", "C", [-3.341, 8.119, 63.004]), Atom(" C ", "C", [-3.96, 8.148, 64.414]), Atom(" O ", "O", [-4.395, 9.191, 64.912]), Atom(" CB ", "C", [-4.385, 7.812, 61.958]), Atom(" CG ", "C", [-4.131, 8.415, 60.589]), Atom(" CD ", "C", [-5.43, 8.854, 59.941]), Atom(" OE1", "O", [-6.21, 8.044, 59.445]), Atom(" NE2", "N", [-5.636, 10.174, 59.973])], [Atom(" N ", "N", [-3.971, 6.96, 65.002]), Atom(" CA ", "C", [-4.491, 6.735, 66.34]), Atom(" C ", "C", [-4.153, 7.948, 67.208]), Atom(" O ", "O", [-5.005, 8.748, 67.605]), Atom(" CB ", "C", [-3.859, 5.484, 66.939])], [Atom(" N ", "N", [-2.859, 8.025, 67.462]), Atom(" CA ", "C", [-2.283, 9.095, 68.292]), Atom(" C ", "C", [-2.926, 10.437, 68.042]), Atom(" O ", "O", [-3.083, 11.148, 69.073]), Atom(" CB ", "C", [-0.739, 9.044, 68.208]), Atom(" CG ", "C", [-0.307, 7.67, 68.635]), Atom(" CD1", "C", [0.139, 6.674, 67.817]), Atom(" CD2", "C", [-0.307, 7.135, 69.968]), Atom(" NE1", "N", [0.426, 5.553, 68.564]), Atom(" CE2", "C", [0.161, 5.805, 69.881]), Atom(" CE3", "C", [-0.652, 7.643, 71.214]), Atom(" CZ2", "C", [0.294, 4.981, 70.988]), Atom(" CZ3", "C", [-0.519, 6.819, 72.322]), Atom(" CH2", "C", [-0.055, 5.513, 72.216])], [Atom(" N ", "N", [-3.301, 10.805, 66.83]), Atom(" CA ", "C", [-3.927, 12.131, 66.627]), Atom(" C ", "C", [-5.422, 12.114, 66.364]), Atom(" O ", "O", [-5.927, 13.019, 65.66]), Atom(" CB ", "C", [-3.108, 12.956, 65.557]), Atom(" CG1", "C", [-3.579, 12.626, 64.13]), Atom(" CG2", "C", [-1.58, 12.748, 65.732]), Atom(" CD1", "C", [-3.107, 13.576, 63.008])], [Atom(" N ", "N", [-6.147, 11.147, 66.903]), Atom(" CA ", "C", [-7.602, 11.057, 66.734]), Atom(" C ", "C", [-8.278, 11.511, 68.05]), Atom(" O ", "O", [-7.858, 11.081, 69.141]), Atom(" CB ", "C", [-8.209, 9.701, 66.437]), Atom(" CG ", "C", [-8.205, 9.197, 65.016]), Atom(" CD ", "C", [-7.282, 8.037, 64.841]), Atom(" NE ", "N", [-6.983, 7.8, 63.434]), Atom(" CZ ", "C", [-7.917, 7.428, 62.555]), Atom(" NH1", "N", [-7.612, 7.211, 61.279]), Atom(" NH2", "N", [-9.176, 7.271, 62.978])], [Atom(" N ", "N", [-9.291, 12.339, 67.9]), Atom(" CA ", "C", [-10.045, 12.855, 69.057]), Atom(" C ", "C", [-9.553, 14.246, 69.437]), Atom(" O ", "O", [-10.189, 14.963, 70.232])], [Atom(" N ", "N", [-8.427, 14.589, 68.846]), Atom(" CA ", "C", [-7.794, 15.897, 69.095]), Atom(" C ", "C", [-8.426, 17.013, 68.287]), Atom(" O ", "O", [-9.089, 16.838, 67.254]), Atom(" CB ", "C", [-6.281, 15.712, 68.917]), Atom(" SG ", "S", [-5.659, 14.512, 70.159])], [Atom(" N ", "N", [-8.206, 18.21, 68.816]), Atom(" CA ", "C", [-8.688, 19.461, 68.251]), Atom(" C ", "C", [-7.513, 20.268, 67.689]), Atom(" O ", "O", [-7.132, 21.34, 68.173]), Atom(" CB ", "C", [-9.484, 20.312, 69.229]), Atom(" CG ", "C", [-10.918, 20.534, 68.799]), Atom(" CD ", "C", [-11.903, 19.823, 69.649]), Atom(" NE ", "N", [-13.203, 19.775, 68.984]), Atom(" CZ ", "C", [-14.376, 19.674, 69.613]), Atom(" NH1", "N", [-14.507, 19.829, 70.929]), Atom(" NH2", "N", [-15.442, 19.371, 68.858])], [Atom(" N ", "N", [-6.959, 19.687, 66.644]), Atom(" CA ", "C", [-5.824, 20.309, 65.926]), Atom(" C ", "C", [-6.619, 21.027, 64.809]), Atom(" O ", "O", [-6.255, 20.79, 63.639]), Atom(" CB ", "C", [-4.859, 19.25, 65.48]), Atom(" CG ", "C", [-4.524, 18.087, 66.387]), Atom(" CD1", "C", [-4.827, 16.76, 65.694]), Atom(" CD2", "C", [-3.039, 18.124, 66.726]), Atom(" OXT", "O", [-7.57, 21.741, 65.185])]], "KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL", [1, 2, 3, 4, 5, 6, 7, 8, 9, 10 … 120, 121, 122, 123, 124, 125, 126, 127, 128, 129]; ins_codes = Indexable([' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ' … ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ', ' ']), rand3 = [0.49597574170962033, 0.11853643758197996, 0.43846432819847925], taxid = -1, dict = Dict("a" => 1, "b" => 2), vecs = [[1, 2, 3], [4, 5]])], Atom{Float64}[Atom(" O ", "O", [22.568, 23.347, 61.872])]) Stacktrace: [1] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:741 [inlined] [2] (::var"#9#10")(dir::String) @ Main ~/.julia/packages/ProteinChains/8G9xL/test/runtests.jl:103 [3] mktempdir(fn::var"#9#10", parent::String; prefix::String) @ Base.Filesystem ./file.jl:899 [4] mktempdir(fn::Function, parent::String) @ Base.Filesystem ./file.jl:895 [5] top-level scope @ ~/.julia/packages/ProteinChains/8G9xL/test/runtests.jl:6 [6] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1858 [inlined] [7] macro expansion @ ~/.julia/packages/ProteinChains/8G9xL/test/runtests.jl:89 [inlined] [8] macro expansion @ /opt/julia/share/julia/stdlib/v1.13/Test/src/Test.jl:1858 [inlined] [9] macro expansion @ ~/.julia/packages/ProteinChains/8G9xL/test/runtests.jl:89 [inlined] Test Summary: | Pass Fail Total Time ProteinChains.jl | 35 1 36 2m15.3s atom.jl | 15 15 2.4s properties.jl | 1 1 0.9s chain.jl | 3 3 1.8s structure.jl | 4 4 0.7s io | 4 4 36.9s store | 8 1 9 1m32.6s RNG of the outermost testset: Random.Xoshiro(0x0576cc137999d043, 0xc84724570597f6ca, 0x0965a5abbdcb2ac3, 0x4c98389f16222637, 0xa57201ccda4895f1) ERROR: LoadError: Some tests did not pass: 35 passed, 1 failed, 0 errored, 0 broken. in expression starting at /home/pkgeval/.julia/packages/ProteinChains/8G9xL/test/runtests.jl:4 Testing failed after 169.89s ERROR: LoadError: Package ProteinChains errored during testing Stacktrace: [1] pkgerror(msg::String) @ Pkg.Types /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Types.jl:68 [2] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, julia_args::Cmd, test_args::Cmd, test_fn::Nothing, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool) @ Pkg.Operations /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2661 [3] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/Operations.jl:2510 [inlined] [4] test(ctx::Pkg.Types.Context, pkgs::Vector{PackageSpec}; coverage::Bool, test_fn::Nothing, julia_args::Cmd, test_args::Cmd, force_latest_compatible_version::Bool, allow_earlier_backwards_compatible_versions::Bool, allow_reresolve::Bool, kwargs::@Kwargs{io::IOContext{IO}}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:538 [5] test(pkgs::Vector{PackageSpec}; io::IOContext{IO}, kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:168 [6] test(pkgs::Vector{String}; kwargs::@Kwargs{julia_args::Cmd}) @ Pkg.API /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [7] test @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:156 [inlined] [8] #test#81 @ /opt/julia/share/julia/stdlib/v1.13/Pkg/src/API.jl:155 [inlined] [9] top-level scope @ /PkgEval.jl/scripts/evaluate.jl:219 [10] include(mod::Module, _path::String) @ Base ./Base.jl:309 [11] exec_options(opts::Base.JLOptions) @ Base ./client.jl:320 [12] _start() @ Base ./client.jl:553 in expression starting at /PkgEval.jl/scripts/evaluate.jl:210 PkgEval failed after 306.69s: package has test failures