Issues

• residue mutation in fesetup

  CCPBioSim/fesetup#18 · Filter by author hollyfreedman opened on Sep 17, 2020

• Parametrizing Co-factors for FESetup

  CCPBioSim/fesetup#16 · Filter by author ecdybeck opened on Feb 24, 2020
  1

• Python 3

  enhancement
  CCPBioSim/fesetup#12 · Filter by author skfegan opened on Sep 25, 2019
  1

• Gromacs dummy atoms

  bug
  CCPBioSim/fesetup#9 · Filter by author skfegan opened on Jan 7, 2019
  2

• Reindexing of atoms causes problem in mapping

  CCPBioSim/fesetup#8 · Filter by author ppxasjsm opened on Oct 29, 2018
  1

• FESetup cannot find maximum commen substructure even when timeout is set to no time out

  bug
  CCPBioSim/fesetup#7 · Filter by author ppxasjsm opened on Oct 28, 2018
  3

• ligand charges

  bug
  CCPBioSim/fesetup#6 · Filter by author skfegan opened on Sep 14, 2018
  3

• problem with GROMACS two-step topologies

  bug
  CCPBioSim/fesetup#4 · Filter by author skfegan opened on Jun 4, 2018

• Unit tests

  feature request
  CCPBioSim/fesetup#3 · Filter by author skfegan opened on May 11, 2018

• Restructure output

  enhancement
  CCPBioSim/fesetup#2 · Filter by author skfegan opened on May 11, 2018

• Duplication in creating topologies

  enhancement
  CCPBioSim/fesetup#1 · Filter by author skfegan opened on May 11, 2018