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Add hydrogens to caps PDBFixer Continuous Integration Workflow #82: Pull request #320 opened by peastman
December 3, 2024 20:57 3m 7s peastman:caps
peastman:caps
December 3, 2024 20:57 3m 7s
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Yoshanuikabundi:charges_from_ccd
August 8, 2024 07:39 2m 21s