Gypsum-DL – Durrant Lab

This forum has 25 topics, 54 replies, and was last updated 1 year, 2 months ago by Jacob Durrant.

Viewing 15 topics - 1 through 15 (of 25 total)

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- How to preserve the input ligand's coordinates?
  Started by: Lin Min Htoo
- 1
- 2
- 1 year, 2 months ago
  Jacob Durrant
- problem writing double bond enumrration to file
  Started by: Peter L
- 0
- 1
- 1 year, 3 months ago
  Peter L
- Durrant filters cause python error
  Started by: Craig Morton
- 0
- 1
- 1 year, 5 months ago
  Craig Morton
- Bug in SaveToSDF.py module
  Started by: Alex
- 0
- 1
- 1 year, 9 months ago
  Alex
- Issue with DurrantLabFilter in parallel jobs
  Started by: Carlos Simoes
- 0
- 1
- 1 year, 11 months ago
  Carlos Simoes
- ionization states and tautomers of amide bonds
  Started by: Loris Moretti
- 0
- 1
- 2 years, 6 months ago
  Loris Moretti
- amide bonds
  Started by: Loris Moretti
- 0
- 1
- 2 years, 6 months ago
  Loris Moretti
- Error handling and non-aromatic rings
  Started by: Stephan Schott
- 0
- 1
- 2 years, 7 months ago
  Stephan Schott
- Multiligand file, MPI, and OSError: [Errno 24] Too many open files
  Started by: Filip
- 1
- 5
- 3 years, 2 months ago
  ikk6
- File name too long
  Started by: Filip
- 0
- 1
- 3 years, 3 months ago
  Filip
- Error file with multiple ligands
  Started by: Sofea Arina Bt Shazali
- 2
- 13
- 3 years, 3 months ago
  Jacob Durrant
- Probability or ratio of each variant per ligand
  Started by: Edward Méndez-Otálvaro
- 1
- 2
- 3 years, 3 months ago
  Jacob Durrant
- ImportError: libboost_python3.so.1.65.1 (SOLVED)
  Started by: Iñigo Marcos-Alcalde
- 1
- 3
- 3 years, 10 months ago
  Jacob Durrant
- Retain default file names
  Started by: deepak
- 1
- 4
- 3 years, 10 months ago
  Jacob Durrant
- a few problems…
  Started by: Chritsian Le Gouill
- 1
- 5
- 4 years ago
  Jacob Durrant

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