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Commits : Listings

Analyzed about 15 hours ago. based on code collected 1 day ago.
Nov 14, 2024 — Nov 14, 2025
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Better (?) bond typing rule More... over 6 years ago
Make dimension independent More... over 6 years ago
When writing SMILES for an element without a symbol, use"[#elementno]" More... over 6 years ago
When writing SMILES for an element without a symbol, use"[#elementno]" More... over 6 years ago
Increase buffer size to ensure support for isotopes of heavy elements More... over 6 years ago
Increase buffer size to ensure support for isotopes of heavy elements More... over 6 years ago
Parse elements described via their atomic symbol, e.g. [#6]. More... over 6 years ago
Parse elements described via their atomic symbol, e.g. [#6]. More... over 6 years ago
Refactor functions More... over 6 years ago
Fix segfault More... over 6 years ago
Fix segfault More... over 6 years ago
Fix mol2 kekulization w/charges More... over 6 years ago
Fix mol2 kekulization w/charges More... over 6 years ago
Fix mol2 typing More... over 6 years ago
Fix mol2 typing More... over 6 years ago
Change error function and optimization method More... over 6 years ago
Only build maeparser if boost is present More... over 6 years ago
Only build maeparser if boost is present More... over 6 years ago
Support for formal charges in mol2 More... over 6 years ago
Support for formal charges in mol2 More... over 6 years ago
Add maeparser support to openbabel (#2) More... over 6 years ago
Add maeparser support to openbabel (#2) More... over 6 years ago
Merge pull request #1992 from dkoes/python_installdir_fix More... over 6 years ago
Merge pull request #1992 from dkoes/python_installdir_fix More... over 6 years ago
Add support for reading insertion codes for pdbqt More... over 6 years ago
Add support for reading insertion codes for pdbqt More... over 6 years ago
Add support to insertion codes to pdbqt output More... over 6 years ago
Add support to insertion codes to pdbqt output More... over 6 years ago
Fix bug with chain perception More... over 6 years ago
Fix bug with chain perception More... over 6 years ago