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117a8bbc · Read SEQRES/SEQRES mapping from mmCIF files in scoring actions
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fbeac0db · use same io functions for compare-structures and compare-ligand-str...
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3be3cf3d · log: warn user when things get filtered out
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bf7dbe0b · ligand scoring: allow dist based connectivity heuristic for ligands...
- ... and 1 more commit. Compare 783b39d9...bf7dbe0b
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783b39d9 · doc: thresholds given in percentages, between 0 and 100
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471599cb · mmcif writer: use semi-colon when writing multiline values
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25561497 · chain mapping: guard against failing superpositions in GetRMSDMapping
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0015bac7 · scoring/chain mapping: rename unmapped_mdl_chains to mdl_chains_wit...
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0ab3fb42 · scoring: make it possible to provide SEQRES info to scoring actions
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ef030ccb · scoring: propagate SEQRES info from scorer objects to chain mapper
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cbe82301 · chain mapping: explicitely define SEQRES and chem grouping
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778780ae · chain mapping: speedup of position extraction in GetRMSDMapping
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e0eea5e0 · chain mapping: change definition of ChainMapper.chem_group_alignments