Issues · pdbe / ccdutils · GitLab

Use RDKit to write sdf file for PDB CCD 4 of 4 tasks completed

#3 · created May 29, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version Qi project development
- CLOSED
- 5
updated Mar 28, 2018
Write 2D images of PDB CCD molecule

#6 · created May 29, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version Qi project development
- CLOSED
- 11
updated Oct 01, 2017
Document the current installation procedure

#14 · created May 29, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version Qi project development
- CLOSED
- 0
updated Sep 21, 2017
Add DMSO and Sildenafil to list of test CCD cif files

#12 · created May 29, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version Qi project enhancement
- CLOSED
- 1
updated Sep 21, 2017
test PDB cif directory name should be clearer

#15 · created May 31, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version May 31, 2017 Qi project enhancement
- CLOSED
- 0
updated Sep 21, 2017
Test fails in directories other than ccd_utils

#16 · created May 31, 2017 by Ijaz Ahmad Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version Qi project bug
- CLOSED
- 0
updated Sep 21, 2017
Write pdb files for PDB CCD

#4 · created May 29, 2017 by Oliver Smart Improve PDBe Chemical Components backend infrastructure using RDKit: beta test version Qi project development
- CLOSED
- 7
updated Sep 21, 2017