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I am trying to model a protein homodimer complexed with dsDNA. I have entered in the two identical protein monomer chains as separate files and DNA strands as two separate files. In a command similar …
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I would like to propose introducing type annotations to BioPython.
For those unfamiliar, type annotations are specified by [PEP 484](https://www.python.org/dev/peps/pep-0484/) and add static type-c…
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Find each class of failure and report to Nigel and Dorothee so that we can decide what to do in each case.
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- [x] I believe this to be a bug with Open Babel
- [ ] This is a feature request
## Environment Information
Open Babel version: 3.1.0
Operating system and version: Ubuntu 21.04
## Expecte…
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Hackathon idea, as discussed in the UGM talks:
- move the mmCIF parser from the e-PDB folks into the core RDKit codebase.
See also #1584
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This may be a Mac OS 10.15.6 issue.
I compiled emacs from source. I am using version 28.0.50.
I added to private.el
```
(global-set-key "\C-ca" 'org-agenda)
```
This is the only command in p…
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I am using gsutil rsync to sync directories from a regular POSIX fileserver over to GCP buckets.
One on particular directory, gsutil rsync hangs. I'd like to figure out what it is that is making it…
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I just downloaded the repository, and it was a staggering 63MB. A quick run with [this script](https://gist.github.com/adler-j/95f69f24d7fe2dd3772a562660a138a2) gave this output:
```bash
All siz…
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Your work is very impressive, and i want to process data by your instructions. But when i run process_data.py, i met the error like this:
Traceback (most recent call last):
File "/cpfs01/project…
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I've been working to create a test suite for determining how well PDBFixer works. The idea is to have an objective way of telling whether or not a code change makes it better. Basically, we need a l…