Tristan Croll

I heard from the ChimeraX team that their Linux builds are now done in `gcc-toolset-10` (available in RedHat 8, CentOS 8, Rocky 8). According to the documentation at https://github.com/pypa/manylinux that's...

It should be OK - as long as you're building against the same standard template library implementation, then binaries compiled with clang are supposed to be compatible with those compiled...

I suppose one (probably unpalatable) other option would be to do something akin to Nvidia themselves... provide support for a single recent CUDA version on the main PyPI server, but...

Yes - I can’t remember exactly how, but the list of command-line flags is accessible programmatically. On Mon, 3 Oct 2022 at 17:19, Peter Eastman ***@***.***> wrote: > Is there...

> You suggested handling this by having two versions of the residue, and adding nonbonded exclusions to make sure each one only interacted with the virtual site copies of the...

That sounds like it will work for me!

Just thought it worth sharing this perfect example of a use-case for arbitrary symmetry constraints: https://twitter.com/BJ_Greber/status/1565001897286803458?s=20&t=bHZ24esT7itXflIXVcFZDw. The complexes in question are over 6 MDa, but the actual number of unique...

What I meant by “on top of” is “as a new tab in the same panel”, covering the git tab entirely. Leads to a lot of switching back and forth...

I'm excited to see you doing this! Personally, for the applications I have in mind (fitting to crystallographic or cryo-EM datasets where the absolute reference frame is fixed by the...

I’m not sure I totally understand the question. The example you gave looks like the distinction between non-crystallographic and crystallographic symmetry (multiple copies packing an asymmetric unit, then multiple copies...