-
The PDB files that are the inputs to XCA sometimes have unexpected chain names. For instance, the `assemlies.yaml` expects chains A and B, but the PDB files that are generated use chain M and N, and t…
-
Hi,
Thanks for the amazing resource! I have backbone structures (from RFdiffusion that consist only of glycin) and I used ProteinMPNN to put a sequence into the backbones. It would be useful to pre…
-
```
Can local PBD files be used in peptideshaker?
```
Original issue reported on code.google.com by `d.d1...@gmail.com` on 1 Mar 2012 at 8:13
-
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…
-
### Description
See #2059 for background.
Having the clang pdbs would help us understand what the issue is and possibly suggest fixes/work around issues.
-
Hi!
Upon working with `ProteinFamilyDataset`, I ran into some issues due to multiple rotamers being present in the loaded PDB files.
First, and just in case, my code to load the data:
```pyt…
-
Hi jewettaij,
Recently I am using moltemplate to generate .data file. My system is composed of polymeric anions and Li-ion. So I build the .lt file by dividing the polymer into three parts, i.e. he…
-
I followed the posebuster.ipynb provided in your repo, downloaded the weight file and downloaded the eval_set zip files. However, since the eval_set does not contain pdb file, so I downloaded from the…
-
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…
-
Upstream NGL has recently added support for configuring which bonds are inferred from interatomic distances in PDB files: https://github.com/nglviewer/ngl/pull/977. This was released on Node in [2.2.0…