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02c266d7

Commit 02c266d7 authored 5 years ago by Gerardo Tauriello

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SCHWED-4658: mol.alg.CopyResidue can deal with bad backbones now.

This is used in Molck's MapNonStandardResidues which used to fail if there
were missing (or unmappable) backbone atoms in modified residues.

parent f882c759

No related merge requests found

Changes 3

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modules/mol/alg/src/nonstandard.cc 10 additions, 2 deletions

modules/mol/alg/src/nonstandard.cc
modules/mol/alg/tests/test_nonstandard.py 60 additions, 15 deletions

modules/mol/alg/tests/test_nonstandard.py
modules/mol/alg/tests/testfiles/cbeta_fail.pdb 13 additions, 0 deletions

modules/mol/alg/tests/testfiles/cbeta_fail.pdb

with 83 additions and 17 deletions

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