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openstructure
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ca4b4956dbd17cc2f83ac0d844351e941791c222
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8
cmake_boost_refactor
data_viewer
develop
protected
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mmtf
no_boost_filesystem
non-orthogonal-maps
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ics/ips: make per-interface scores for trimmed variant available
ICS/IPS: Optionally compute on trimmed model
fix: inconsistent residues is a tuple of residues
lddt: enable per-atom lDDT scores
compare-structures: add rigid scores specific chain mapping in json output
compare-structures: report correct transformation matrix for rigid scores
dockq: enable protein-nucleotide and nucleotide-nucleotide interfaces
fix deprecated link in Gitlab workflow
fix FTP link to be deprecated in November 2024
fix: rename CSV columns
feat: add extra data to the CSV output
fix: show correct ligands in full results output
Rename chain of SDF ligands
log: reduce verbosity
fix: restore traceback
Raise an error for nucleic acids in DockQ
Rename binding_site and model_representation states
fix: report disconnected rather than single_ligand_issue
doc: correct argument names
doc: restore unassigned states and add new codes
chain mapping: reduce likelihood of grouping dissimilar sequences together
scoring: Log update
scoring: force peptide/nucleotide connectivity based on residue numbers
scoring.Scorer: allow to set custom lDDT SymmetrySettings
comparison actions: add ost version to json out
dockq: make results more similar to DockQ v2.2.1
Penalize added model contacts by default in lDDT-PLI
log: display the chain name for clarity
fix: export documented function
mmcif writer: sanity checks - no duplicate atoms and strictly increasing resnums
scoring: reduce compute time for GDT with minimal decrease in accuracy
fix: restore -h argument
fix: exit with error code if nothing was read
Scoring: Set transformation matrix to identity matrix if NO residue is mapped
fix: better error message
test: check error code from command
fix: exit with error code if invalid arguments are given
test: hide warnings
test: reading (or not) of BIRD (PRD) compounds
fix: skip missing creation/modification dates
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