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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
Fixed bug in added bonds to heterogens (#298)
PDBFixer Continuous Integration Workflow #56: Commit f9aae0b pushed by peastman
July 17, 2024 18:20 2m 29s master
July 17, 2024 18:20 2m 29s
Fixed bug in added bonds to heterogens
PDBFixer Continuous Integration Workflow #55: Pull request #298 opened by peastman
July 16, 2024 19:51 2m 19s peastman:bonds
July 16, 2024 19:51 2m 19s
Support nonstandard residues (#296)
PDBFixer Continuous Integration Workflow #54: Commit 92044f3 pushed by peastman
July 16, 2024 16:58 2m 2s master
July 16, 2024 16:58 2m 2s
Support nonstandard residues
PDBFixer Continuous Integration Workflow #53: Pull request #296 synchronize by peastman
July 13, 2024 00:00 2m 49s peastman:templates
July 13, 2024 00:00 2m 49s
Support nonstandard residues
PDBFixer Continuous Integration Workflow #52: Pull request #296 opened by peastman
July 12, 2024 17:10 3m 38s peastman:templates
July 12, 2024 17:10 3m 38s
Can add hydrogens to nonstandard residues (#295)
PDBFixer Continuous Integration Workflow #51: Commit 5cf78a2 pushed by peastman
July 10, 2024 23:11 2m 2s master
July 10, 2024 23:11 2m 2s
Can add hydrogens to nonstandard residues
PDBFixer Continuous Integration Workflow #50: Pull request #295 synchronize by peastman
July 10, 2024 22:55 3m 7s peastman:nonstandard
July 10, 2024 22:55 3m 7s
Can add hydrogens to nonstandard residues
PDBFixer Continuous Integration Workflow #49: Pull request #295 synchronize by peastman
July 10, 2024 22:54 42s peastman:nonstandard
July 10, 2024 22:54 42s
Can add hydrogens to nonstandard residues
PDBFixer Continuous Integration Workflow #48: Pull request #295 synchronize by peastman
July 10, 2024 22:26 1m 21s peastman:nonstandard
July 10, 2024 22:26 1m 21s
Can add hydrogens to nonstandard residues
PDBFixer Continuous Integration Workflow #47: Pull request #295 synchronize by peastman
July 10, 2024 22:16 39s peastman:nonstandard
July 10, 2024 22:16 39s
Can add hydrogens to nonstandard residues
PDBFixer Continuous Integration Workflow #46: Pull request #295 opened by peastman
July 6, 2024 01:53 2m 0s peastman:nonstandard
July 6, 2024 01:53 2m 0s
Bugfixed chain ID assignment in addSolvent (#287) (#294)
PDBFixer Continuous Integration Workflow #45: Commit 268f1d7 pushed by peastman
June 26, 2024 20:24 2m 25s master
June 26, 2024 20:24 2m 25s
Bugfixed chain ID assignment in addSolvent (#287)
PDBFixer Continuous Integration Workflow #44: Pull request #294 synchronize by murfalo
June 26, 2024 18:31 2m 5s murfalo:master
June 26, 2024 18:31 2m 5s