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openstructure
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OMF: extract rnums from omf obj
develop
develop
fix unit test
Read SEQRES/SEQRES mapping from mmCIF files in scoring actions
MMCIFPrep on steroids
use same io functions for compare-structures and compare-ligand-structures actions
log: warn user when things get filtered out
ligand scoring: allow dist based connectivity heuristic for ligands from mmCIF
lddtpli bugfix: handle case when mdl chain is not mapped to any chem group in ref
doc: thresholds given in percentages, between 0 and 100
mmcif writer bugfix
Fix typo in mmcif_reader.cc
mmcif writer: use semi-colon when writing multiline values
chain mapping: guard against failing superpositions in GetRMSDMapping
scoring/chain mapping: rename unmapped_mdl_chains to mdl_chains_without_chem_mapping
scoring: make it possible to provide SEQRES info to scoring actions
scoring: propagate SEQRES info from scorer objects to chain mapper
chain mapping: explicitely define SEQRES and chem grouping
chain mapping: speedup of position extraction in GetRMSDMapping
doc update
chain mapping: change definition of ChainMapper.chem_group_alignments
chain_mapping/scoring refactoring/bugfixes
fix full nucleic backbone atom names
fix: better error messages
Merge branch 'master' into develop
Merge branch 'release-2.9.2'
2.9.2 master
2.9.2 master
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