Tristan Croll
Tristan Croll
### Prerequisites * [X ] Put an X between the brackets on this line if you have done all of the following: * Reproduced the problem in Safe Mode: *...
Not necessarily ready for merging yet, but it works! :) I've attached the Singularity recipe I've been using to create a controlled build environment. While the result should be fully...
## Expected Behavior If a long-running job times out before finishing all five models, it should still be possible to download those models (and associated metadata) that it did produce....
Following on from our offline discussion, opening a new ticket to discuss what an API might look like for implementations of (1) full PME simulations based on a small asymmetric...
Trying to install Model-Angelo into a fairly barebones Ubuntu 22.04 environment (in a cloud Docker instance, if that makes a difference) leaves me in conda package resolution hell (see stderr...
Following on from the interesting thread with @slochower in #2, I'd like to bring @jchodera in to the discussion on how best to make use of OpenForceField in ISOLDE and...
I'm attaching a serialised system of two phosphatidic acids parameterised using GAFF2 (ANTECHAMBER via phenix.elbow, for the record). I realise part of the problem is that they're non-physiological (at near-neutral...
Hi, As I understand it one of the end goals of ESPALOMA is to be able to parameterise an entire system without the need for individual residue templates (what got...
**Description** If I have have a directory structure that looks like: ``` foo/bar.txt bar/foo.txt ``` ... then if I select both folders for download the result is a .zip file...
Hasn't actually affected me, but noticed while reading the code: in the `submit()` and `status()` methods defined in `run_mmseqs2()`, I believe the `error_count=0` lines https://github.com/sokrypton/ColabFold/blob/0b6d4562030b057d8f6f5287497a2c007bdac548/colabfold/colabfold.py#L88 and https://github.com/sokrypton/ColabFold/blob/0b6d4562030b057d8f6f5287497a2c007bdac548/colabfold/colabfold.py#L115 should be _outside_...