Skip to content

Actions: openmm/pdbfixer

PDBFixer Continuous Integration Workflow

Actions

Loading...
Loading

Show workflow options

Create status badge

Loading
38 workflow runs
38 workflow runs

Filter by Event

Filter by Status

Filter by Branch

Filter by Actor

CI tests against the released OpenMM (#317)
PDBFixer Continuous Integration Workflow #81: Commit c83d125 pushed by peastman
November 9, 2024 04:04 3m 19s master
November 9, 2024 04:04 3m 19s
CI tests against the released OpenMM
PDBFixer Continuous Integration Workflow #80: Pull request #317 opened by peastman
November 9, 2024 03:38 7m 23s peastman:ci
November 9, 2024 03:38 7m 23s
Update version numbers (#314)
PDBFixer Continuous Integration Workflow #79: Commit 1be7265 pushed by peastman
November 9, 2024 00:58 3m 33s master
November 9, 2024 00:58 3m 33s
removeHeterogens() returns the Residues that were removed (#316)
PDBFixer Continuous Integration Workflow #78: Commit 66f52de pushed by peastman
November 4, 2024 16:52 3m 22s master
November 4, 2024 16:52 3m 22s
removeHeterogens() returns the Residues that were removed
PDBFixer Continuous Integration Workflow #77: Pull request #316 opened by peastman
November 4, 2024 15:55 3m 18s peastman:heterogens
November 4, 2024 15:55 3m 18s
Update version numbers
PDBFixer Continuous Integration Workflow #76: Pull request #314 opened by peastman
October 31, 2024 00:53 3m 36s peastman:110
October 31, 2024 00:53 3m 36s
membraneCenterZ was being ignored (#313)
PDBFixer Continuous Integration Workflow #75: Commit b2cd2c4 pushed by peastman
October 28, 2024 16:53 3m 25s master
October 28, 2024 16:53 3m 25s
membraneCenterZ was being ignored
PDBFixer Continuous Integration Workflow #74: Pull request #313 opened by peastman
October 28, 2024 16:48 2m 57s peastman:membrane
October 28, 2024 16:48 2m 57s
Removed a deprecated import (#312)
PDBFixer Continuous Integration Workflow #73: Commit a6f6430 pushed by peastman
October 28, 2024 16:43 3m 24s master
October 28, 2024 16:43 3m 24s
Removed a deprecated import
PDBFixer Continuous Integration Workflow #72: Pull request #312 opened by peastman
October 28, 2024 16:34 3m 24s peastman:import
October 28, 2024 16:34 3m 24s
Try to put peptide bonds in the correct orientation (#309)
PDBFixer Continuous Integration Workflow #71: Commit 4c0ffa5 pushed by peastman
October 15, 2024 21:55 10m 6s master
October 15, 2024 21:55 10m 6s
Try to put peptide bonds in the correct orientation
PDBFixer Continuous Integration Workflow #70: Pull request #309 opened by peastman
October 3, 2024 00:27 3m 16s peastman:peptide
October 3, 2024 00:27 3m 16s
Soft core force field includes torsions with wildcards (#308)
PDBFixer Continuous Integration Workflow #69: Commit 6da5bb6 pushed by peastman
October 3, 2024 00:22 3m 10s master
October 3, 2024 00:22 3m 10s
Soft core force field includes torsions with wildcards
PDBFixer Continuous Integration Workflow #68: Pull request #308 synchronize by peastman
October 3, 2024 00:16 3m 21s peastman:wildcard
October 3, 2024 00:16 3m 21s
Soft core force field includes torsions with wildcards
PDBFixer Continuous Integration Workflow #67: Pull request #308 opened by peastman
September 30, 2024 21:38 2m 56s peastman:wildcard
September 30, 2024 21:38 2m 56s
Neutralise systems with formal charges from the PDB (#301)
PDBFixer Continuous Integration Workflow #66: Commit 2744212 pushed by peastman
September 27, 2024 15:31 3m 15s master
September 27, 2024 15:31 3m 15s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #65: Pull request #301 synchronize by Yoshanuikabundi
September 27, 2024 08:06 2m 50s Yoshanuikabundi:charges_from_ccd
September 27, 2024 08:06 2m 50s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #64: Pull request #301 synchronize by Yoshanuikabundi
September 10, 2024 08:46 3m 9s Yoshanuikabundi:charges_from_ccd
September 10, 2024 08:46 3m 9s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #63: Pull request #301 synchronize by Yoshanuikabundi
August 26, 2024 05:29 16m 3s Yoshanuikabundi:charges_from_ccd
August 26, 2024 05:29 16m 3s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #62: Pull request #301 synchronize by Yoshanuikabundi
August 26, 2024 04:07 2m 41s Yoshanuikabundi:charges_from_ccd
August 26, 2024 04:07 2m 41s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #61: Pull request #301 synchronize by Yoshanuikabundi
August 10, 2024 07:29 2m 30s Yoshanuikabundi:charges_from_ccd
August 10, 2024 07:29 2m 30s
Added optimizeHydrogenBonds()
PDBFixer Continuous Integration Workflow #60: Pull request #303 opened by peastman
August 8, 2024 19:27 2m 54s peastman:optimize
August 8, 2024 19:27 2m 54s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #59: Pull request #301 synchronize by Yoshanuikabundi
August 8, 2024 14:58 2m 45s Yoshanuikabundi:charges_from_ccd
August 8, 2024 14:58 2m 45s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #58: Pull request #301 synchronize by Yoshanuikabundi
August 8, 2024 07:39 2m 21s Yoshanuikabundi:charges_from_ccd
August 8, 2024 07:39 2m 21s
Neutralise systems with formal charges from the PDB
PDBFixer Continuous Integration Workflow #57: Pull request #301 opened by Yoshanuikabundi
July 30, 2024 05:28 3m 1s Yoshanuikabundi:charges_from_ccd
July 30, 2024 05:28 3m 1s