PDB-REDO/alphafill
AlphaFill is an algorithm based on sequence and structure similarity that “transplants” missing compounds to the AlphaFold models. By adding the molecular context to the protein structures, the models can be more easily appreciated in terms of function and structure integrity.
C++BSD-2-Clause
Issues
- 2
ctest failures
#47 opened by meh47336 - 1
Yasara ERRoR when analysis interactions between proteins and small molecules
#46 opened by lightcone233 - 1
Coloring by pLDDT
#33 opened by prihoda - 1
Error reading file
#43 opened by AlessioDelConte - 10
Do we need a blast index file or just a fasta file for --pdb-fasta? Need help here.
#45 opened by Yang-Wang-2020 - 3
Installation in docker
#27 opened by Nick-Mul - 3
- 2
Documentation about the --pae-file option
#42 opened by phupe - 1
Warning: Missing atom for atom ID
#41 opened by DamienWaits - 2
- 1
Error when processing 2ONG for nohd >> max-ligand-to-polymer-atom-distance: unknown option
#39 opened by eporetsky - 16
Alphafill can't find pdb files albeit finding them when generating the pdb-id-list
#37 opened by sadiogo - 1
Remove mrc dependency from alphafill
#34 opened by YoshitakaMo - 2
[Suggestion] An easy implementation of structure similarity search using the DASH database
#38 opened by sadiogo - 15
Problems running prepare-pdb-list
#32 opened by abiadak3 - 5
- 16
- 7
- 4
Installing issue on CentOS 7 system
#24 opened by syx2017-bot - 6
Fails to compile at utilities.hpp
#31 opened by abiadak3 - 3
libzeep is not able to build
#30 opened by rytakahas - 1
libzeep is not able to build
#29 opened by rytakahas - 2
- 3
rsync download of the PDB-REDO DB not working
#26 opened by roger-boop - 3
Alphafill usage
#23 opened by lukab86 - 1
iNEXT-Discovery logo
#22 opened by drlemmus - 4
requirements: issues with setup
#9 opened by ccbiozhaw - 2
- 4
CCP4 dependency
#18 opened by mf-rug - 2
Conda package
#20 opened by steff1088 - 4
UNL ligand crash
#19 opened by mf-rug - 12
cif input problems
#12 opened by mf-rug - 3
Use foldseek to find structures?
#8 opened by hmms117 - 2
[Question] How to get the FastA formatted file for all sequences in this databank?
#17 opened by agdiaz - 2
- 3
- 1
Install Issues
#14 opened by WillExeter - 1
- 3
Format error in output CIF
#11 opened by mf-rug - 3
mmCIF dictionary
#10 opened by multimeric - 2
Feature request for transplant contacts
#2 opened by drlemmus - 0
- 4
YASARA refine
#7 opened by JinyuanSun - 1
important homologs seem to be missing
#6 opened by esbenfriis - 5
Q13315 Issues
#5 opened by multimeric - 1
Add descriptive names for contacts
#3 opened by drlemmus - 1
Not clear where ligand files should be located.
#1 opened by tkella47