ihmwg/python-modelcif issues and pull requests

#40 - _audit_conform: mmcif_ma vs mmcif_ma-core

Issue - State: closed - Opened by gtauriello 2 months ago

#39 - Improving ma_qa_metric_local_pairwise description

Issue - State: closed - Opened by aozalevsky 5 months ago - 1 comment

#38 - per-atom PAE scores

Issue - State: closed - Opened by aozalevsky 5 months ago - 3 comments

#37 - not_modeled_residue_ranges in python-ihm

Issue - State: closed - Opened by gtauriello 5 months ago - 8 comments
Labels: bug

#36 - Duplicated entries in _ma_software_parameter

Issue - State: closed - Opened by gtauriello 5 months ago - 2 comments
Labels: bug

#35 - New release?

Issue - State: closed - Opened by gtauriello 8 months ago - 2 comments

#34 - Add struct_ref support

Issue - State: closed - Opened by gtauriello 10 months ago - 3 comments
Labels: enhancement

#33 - Fix support for software parameters in software groups

Issue - State: closed - Opened by benmwebb over 1 year ago
Labels: bug

#32 - Support data_id for associated files

Issue - State: closed - Opened by gtauriello almost 2 years ago - 1 comment

#31 - Handle missing pdbx_entity_nonpoly.ma_model_mode on read

Issue - State: closed - Opened by benmwebb about 2 years ago
Labels: bug

#30 - Issues in validation and make-mmcif

Issue - State: closed - Opened by gtauriello about 2 years ago - 2 comments

#29 - Remove _exptl table

Issue - State: closed - Opened by gtauriello about 2 years ago

#28 - Add _ma_template_ref_db_details.db_version_date.

Pull Request - State: closed - Opened by bienchen over 2 years ago - 1 comment

#27 - Multiline string for model details

Issue - State: closed - Opened by gtauriello over 2 years ago - 5 comments

#26 - LocalPairwiseQAScoresFile within ZipFile not generating QA file

Issue - State: closed - Opened by gtauriello over 2 years ago - 2 comments

#25 - Quote STAR syntax constructs

Issue - State: closed - Opened by gtauriello over 2 years ago - 3 comments

#24 - Add modelcif.alignment.HHblitsEValue

Pull Request - State: closed - Opened by bienchen over 2 years ago - 1 comment

#23 - _entity_poly.pdbx_strand_id for homomers

Issue - State: closed - Opened by bienchen over 2 years ago - 2 comments

#22 - Add modelcif.reference.template references

Pull Request - State: closed - Opened by bienchen almost 3 years ago - 1 comment

#21 - Allow compounds not available in the wwPDB components dictionary

Issue - State: closed - Opened by bienchen almost 3 years ago - 3 comments

#20 - Reading in then writing out file fails at "atom not in representation" sanity check

Issue - State: closed - Opened by benmwebb almost 3 years ago
Labels: bug

#19 - Allow lists for _ma_software_parameter

Issue - State: closed - Opened by bienchen almost 3 years ago - 6 comments

#18 - Don't create Entities for templates

Issue - State: closed - Opened by benmwebb almost 3 years ago
Labels: bug

#17 - modelcif.associated.LocalPairwiseQAScoresFile path should be relative

Issue - State: closed - Opened by bienchen almost 3 years ago - 2 comments

#16 - Add _ma_target_ref_db_details.seq_db_sequence_checksum

Pull Request - State: closed - Opened by bienchen almost 3 years ago - 1 comment

#15 - Add _ma_target_ref_db_details.[seq_db_sequence_version_date, seq_db_sequence_checksum]

Pull Request - State: closed - Opened by bienchen almost 3 years ago - 2 comments

#14 - Add support for _struct.pdbx_model_details

Pull Request - State: closed - Opened by bienchen almost 3 years ago

#13 - Add ma_target_ref_db_details.seq_db_sequence_checksum

Issue - State: closed - Opened by bienchen almost 3 years ago - 1 comment
Labels: enhancement, ModelArchive

#12 - Add ma_target_ref_db_details.seq_db_sequence_version_date

Issue - State: closed - Opened by bienchen almost 3 years ago - 2 comments
Labels: enhancement

#11 - Add _struct.pdbx_model_details

Pull Request - State: closed - Opened by bienchen almost 3 years ago - 1 comment

#10 - Add mechanism to read in associated files

Issue - State: closed - Opened by benmwebb almost 3 years ago - 4 comments
Labels: enhancement, AlphaFold

#9 - qa_metric.MetricType for pTM & ipTM

Pull Request - State: closed - Opened by bienchen almost 3 years ago - 1 comment

#8 - Add qa_metric.MetricType for pLDDT

Pull Request - State: closed - Opened by bienchen almost 3 years ago

#7 - Improved mechanism for handling nonpoly target-template correspondence

Issue - State: closed - Opened by benmwebb almost 3 years ago - 8 comments
Labels: enhancement

#6 - Update list of limitations and correct spelling.

Pull Request - State: closed - Opened by bienchen almost 3 years ago - 1 comment

#5 - Support ma_template_non_poly

Issue - State: closed - Opened by bienchen almost 3 years ago - 1 comment
Labels: enhancement

#4 - Allow more pythonic derived classes

Issue - State: closed - Opened by benmwebb about 3 years ago
Labels: enhancement

#3 - Add support for associated files

Issue - State: closed - Opened by benmwebb about 3 years ago
Labels: enhancement, AlphaFold

#2 - Add support for non-global QA metrics

Issue - State: closed - Opened by benmwebb about 3 years ago

#1 - Add support for templates not deposited in PDB

Issue - State: closed - Opened by benmwebb about 3 years ago - 5 comments
Labels: enhancement

GitHub / ihmwg/python-modelcif issues and pull requests