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Problem occurs using babel 2.0.0 compiled with the
fixes from Geoff Hutchison for mol2 file atom-typing.
A pdb file downloaded from www.rcsb.org (1CRN is used
in the example files) when translate…
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I encountered this error when I ran `python3 ./main_work.py`:
```
Traceback (most recent call last):
File "./config.py", line 61, in
get_index_list_with_selection_statement('../resources/al…
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Running on PDB ID 1UNC of Villin https://www.rcsb.org/structure/1unc causes the following crash
The issue is that the residue is named GLU but it has a HE2 hydrogen which corresponds to a GLH residue…
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It's a great honor to read your article, but I really hope to see your training network. I would be grateful if you could provide it!
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```
What steps will reproduce the problem?
1. Read mmCIF of 1r4e
================================================================================
======================
| Wattos: Programs for Structu…
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After processing some PDB files from [PINDER](https://github.com/pinder-org/pinder) with `process_pdb_files.py` when running the training I get
```
python -W ignore experiments/train_se3_flows.py da…
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Since mmtf stores the SEQRES groups as 1-letter code strings, the chemical component id for any residue that is non-standard and happens to be unobserved will be lost. E.g. for 2X3T chain E (a glycope…
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The download script download_roda_pdbs.sh has this rsync command:
https://github.com/aqlaboratory/openfold/blob/84659c93ba6f06b8a0a2646d1cf27646c003a0c6/scripts/download_roda_pdbs.sh#L35
It does…
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They're both requirements: in [`requirements.txt`](https://github.com/rcsb/py-rcsb-api/blob/master/requirements.txt#L2) and [read in `setup.py`](https://github.com/rcsb/py-rcsb-api/blob/master/setup.p…
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Hi all,
I have a question regarding function [mmtbx.model.model.get_specific_ion_radius](https://github.com/cctbx/cctbx_project/blob/865e8e3e193df6a8e6ea5f1c36080a7ab8d26d81/mmtbx/model/model.py#L…