Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / openmm/pdbfixer issues and pull requests

#203 - Python API: Keep chain

Issue - State: open - Opened by mirix over 4 years ago - 4 comments

#202 - Problem with mmcif format

Issue - State: closed - Opened by georopon over 4 years ago - 2 comments

#201 - Residue number strange behavior

Issue - State: open - Opened by MauriceKarrenbrock over 4 years ago - 2 comments

#200 - Trying to create SystemGenerator from RDKit converted openff topology

Issue - State: closed - Opened by tarungog over 4 years ago - 3 comments

#199 - List of fixes for failing test cases

Issue - State: open - Opened by zhang-ivy over 4 years ago - 2 comments

#198 - [WIP] Improved method of selecting positions for added residues

Pull Request - State: closed - Opened by peastman over 4 years ago - 2 comments

#197 - Added option to save files in PDBx/mmCIF format

Pull Request - State: closed - Opened by peastman over 4 years ago

#196 - Move to openmm org?

Issue - State: closed - Opened by jchodera over 4 years ago - 1 comment

#194 - Missing terminal oxygen after addMissingAtoms()

Issue - State: closed - Opened by MauriceKarrenbrock over 4 years ago - 17 comments

#193 - MMCIF _atom_site.pdbx_PDB_ins_code problem

Issue - State: closed - Opened by MauriceKarrenbrock almost 5 years ago - 3 comments

#192 - added Dockerfile; URL changed from `localhost` to `0.0.0.0`

Pull Request - State: closed - Opened by ozzzzz almost 5 years ago - 13 comments

#191 - maintain insertion codes

Pull Request - State: closed - Opened by zhang-ivy almost 5 years ago - 1 comment

#190 - Cannot find missing residues with "findMissingResidues"

Issue - State: closed - Opened by luwei0917 almost 5 years ago - 5 comments

#189 - Fixed exception loading PDBx/mmCIF files with missing blocks

Pull Request - State: closed - Opened by peastman almost 5 years ago

#187 - Insertion codes not preserved in addMissingAtoms

Issue - State: closed - Opened by zhang-ivy almost 5 years ago - 3 comments

#186 - How to select a model?

Issue - State: closed - Opened by Ruibin-Liu about 5 years ago - 1 comment

#185 - Updated version number to 1.6

Pull Request - State: closed - Opened by peastman about 5 years ago

#184 - Improved handling of insertion codes

Pull Request - State: closed - Opened by peastman about 5 years ago

#183 - Fail to find missing residues on PDB retrieved from OPM database

Issue - State: open - Opened by ajsilveira over 5 years ago - 3 comments

#182 - Make the addition of SEQRES residues optional

Issue - State: open - Opened by jiayeguo over 5 years ago - 3 comments

#181 - wrong when install under CENTOS7

Issue - State: open - Opened by guyujun almost 6 years ago - 2 comments

#173 - best way to insert ACE/NME caps?

Issue - State: open - Opened by nitroamos about 6 years ago - 14 comments

#163 - Exception: Particle coordinate is nan in addMembrane

Issue - State: open - Opened by nitroamos over 6 years ago - 6 comments

#154 - Fail to find missing residues on PDB with insertion code

Issue - State: closed - Opened by recamshak about 7 years ago

#153 - Issue with insertion codes

Issue - State: closed - Opened by mikessh over 7 years ago - 3 comments

#145 - N-terminal residue added with wrong chirality and/or a cis-peptide bond

Issue - State: open - Opened by rafwiewiora over 7 years ago - 29 comments

#27 - Test pdbfixer on entire PDB

Issue - State: open - Opened by jchodera over 10 years ago - 12 comments

#4 - Atom name dialects

Issue - State: closed - Opened by rmcgibbo about 11 years ago - 8 comments