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Pull requests: ParmEd/ParmEd

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Pull requests list

Fixed Improper Method Call: Replaced NotImplementedError
#1330 opened Nov 14, 2023 by fazledyn-or Loading…
Improve rdkit coordinate precision
#1286 opened Feb 3, 2023 by bradakta Loading…
5
Add a volume property
#1259 opened Jul 26, 2022 by bradakstx Loading…
10
Add fixes to external bond perception for glycans
#1206 opened Oct 28, 2021 by zhang-ivy Loading…
13
Do not always reorder atoms when writing in the ParmEd CLI
#1128 opened Dec 24, 2020 by swails Loading…
Update docs
#1110 opened Oct 3, 2020 by ahy3nz Loading…
3
Try to work around VMD restart parsing limitation
#1086 opened Apr 18, 2020 by swails Loading…
1
Update nucleic acid residues
#1047 opened Apr 8, 2019 by dwhswenson Loading…
8
Take absolute value of CHARMM epsilons, since those are always negative
#1044 opened Mar 31, 2019 by swails Loading…
1
1
Added 'cgnr' charge group property to Atom class
#985 opened May 25, 2018 by jotelha Loading…
2
Addition of support to read the parameter files with XPLOR format in NAMD/CHARMM.
#966 opened Mar 7, 2018 by berkonat Loading…
6
ProTip! Updated in the last three days: updated:>2024-05-05.