Oliver Wissett

`libunwind-14-dev` breaks `libunwind` on Linux

11

I am attempting to add a package to the linux image. During the process of building the image (with libc++-dev and libc++abi-dev added to packages.txt), I get an error saying:...

Added cargo update - I need this for some awkward git setup

Add SASA support

14

I have developed a Rust port of the C library, freesasa, which performs protein surface area calculations. I want to know if you think that this can be incorporated into...

REMARK Line Length Enforcement

2

I've been working with some AFDB structures, and most of them have very long REMARK lines. I had a look in the PDB spec, and couldn't see if there was...

Bad Models in PDB

1

PDB files are relatively poor in quality, generally speaking, and it isn't uncommon for PDB files to raise errors during parsing. Notably, I have seen that quite a few PDB...

Maybe make a Discord?

1

I am seeing that this repo is getting some more interest recently, and it was suggested in a PR that maybe a discord could be good, for discussing specific implementations....

Trying to keep things a bit tidy, this issue is a feature request relating to #110 and #113 Here is the basics of the implementation: ```rust #[derive(Debug, Default)] pub struct...

[Comment]:

10

### What happened? This isn't really a bug. I wanted to drop a comment on your Medium article since you don't state that you need to run: ``` cargo install...

Fall back strategy for headerless PDB files.

1

I have been working with a bunch of PDB files without a header, and found that the identifier isn't parsed since that comes from the HEADER records. A work around...

Question: How can I copy a group from one file to another?

1

This is possible and easy to do using h5py, however, for me python is too slow so I am trying to use rust. I seem to just be getting stuck...