Comments (1)
Thanks! 🙇
from fragmenstein.
Related Issues (20)
- 'Monster' object has no attribute 'joining_cutoff' HOT 1
- main branch tests failing HOT 2
- ligand - setting up Igor: runs for ever HOT 4
- custom MCS HOT 4
- Partial charges from hits
- setup dependencies versions are not fixed
- Cleanup parameters
- Continuous warning about Hs HOT 1
- Minimized pdbs contain non pdb format lines at the end HOT 1
- PyRosetta > openMM
- Discard
- Prepare Fragmenstein for bioisosteres
- Sanitisation issue
- Import failure due to nglview HOT 2
- AtomicRenamer superseded by Fragmenstein HOT 1
- Wictor (Victor w/ no PyRosetta) does not dump files HOT 1
- Mapping error in latest versions HOT 1
- CLI laboratory place gives `NotImplentedError` HOT 1
- Choice of Victor in Laboratory not quite working
- No PyRosetta mode (Wictor) breaks with PLIP (no Ligand) HOT 1
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from fragmenstein.