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12 Open 13 Closed
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Issues list

Installing MDRestraints generator
#47 opened Oct 21, 2024 by jjmallen
Error while running the BoreschRestraintGMX.py script
#46 opened Jul 24, 2024 by Shubhangi1397
Switch from using default bond/angle/dihedral values to using lib.distance calls.
#44 opened Aug 8, 2022 by IAlibay
Don't use selection strings for finding bonded atoms
#43 opened Aug 8, 2022 by IAlibay
Regression failure for scipy>1.8
#41 opened Aug 7, 2022 by IAlibay
1
pass start/stop/step to find_ligand_atoms + don't always transfer to memory
#40 opened Jan 24, 2022 by IAlibay
gromacs: avoid dihedrals close to 180/-180 periodicity
#39 opened Nov 1, 2021 by IAlibay
Add proper documentation
#18 opened Jun 30, 2020 by IAlibay
1
Add options for AMBER TI restraints
#8 opened Jun 3, 2019 by IAlibay
Implement interactive restraint picking
#5 opened May 23, 2019 by IAlibay
Add the ability to generate BoreschRestraints via the pull code enhancement New feature or request
#4 opened May 20, 2019 by IAlibay
1
QQ plot will fail if distribution goes over the periodicity range
#2 opened May 7, 2019 by IAlibay
3
ProTip! Updated in the last three days: updated:>2024-11-21.