-
When running the pipeline for other molecules I have issues when scoring the docked molecules and get errors like: 63%|██████▎ | 627/999 [27:50
-
Before I hear back that they should be in snupkg packages, I need to hear back on whether they are supported with the pdb files embedded. This is one of our simplest use cases we have here at Deloitt…
-
I want to know whether the following ERROR/warning matters when I mutate amino acids in pyrosetta:
```
core.import_pose.import_pose: File '/data2/rjli/test_dataset/1amk/1amk_protein.pdb' automatic…
-
I read through the FAQ and am tagging some sections as slightly or significantly out of date. I don't have the time to work on these now, so I'm noting them for future changes.
* "Can I use an AMBE…
-
I see that if "Perform Runtime Contract Checking" is enabled for a project, its pdb-file contains empty checksums for all referenced source files. That is a problem e.g. for JetBrains dotCover coverag…
-
Basic serialization is already supported for analysis/setting files, but not PDB files. When #64 has been merged, we can look into implementing support for this.
Note that the PDB parser uses [`Fil…
-
I tried to follow your quickstart at https://github.com/KarchinLab/HotMAPS/wiki/Quick-start.
The file pdb_info.txt.gz(http://karchinlab.org/data/HotMAPS/pdb_info.txt.gz)and mupit_modbase.sql.gz (h…
-
It would be nice if a support for downloading PDB files of the PE files was added
Also I would like to say thank you for creating this tool/website!
-
The pdb files generated do not contain any hydrogen atoms, my simulations need complete structures with H atoms is there a way to add the H atoms?
-
### Problem to solve
PDB entries with extended Chemical Component Dictionary (CCD) or PDB IDs will be distributed in PDBx/mmCIF format only, as announced by the wwPDB in collaboration with the [PDBx…