Ajasja Ljubetič

Renumbering residues

9

Hi! Nice library, has a lot of potential. Is there a way to renumber residues? Renumbering atoms seems trivial (just assign a range to the atom_number), however renumbering residues would...

Resuming the project

1

Now that the "big split" is over, do you think this project is worth resuming? nteract is not yet stable enough yet, and is rewriting the javascript side, so there...

colabfold_batch still runs a MSA query even if `--msa-mode single_sequence`

5

## Expected Behavior No query should be sent to the server if `--msa-mode single_sequence` `colabfold_batch --num-recycle 6 --msa-mode single_sequence --model-type AlphaFold2-multimer-v2 --recompile-padding 1 ./{fn} . ` ## Current Behavior Queries...

Output o PDB for each recycle step

1

## Expected Behavior It would be great if a PDB could be generated for each recycle step. That would enable one to see how many recycle steps are needed to...

## Expected Behavior When using custom templates only models 1 and 2 are interesting. I would propose and option (in the Advanced Settings) to select only a subset of models....

## Expected Behavior Colabfold returns a structure ## Current Behavior `TypeError: 'NoneType' object is not subscriptable` ## Steps to Reproduce (for bugs) Seq: ENQALEQKNAQLKQEIAALEQEIAQLEY:KNAQLKEENAALEEKIQQLKEKIQALKY:ENQALEQEIAQLEQEIAALEQKNAQLKY:KNAQLKEKIAALKEKIQQLKEENQALEY Name: P9P10P11P12_unpaired MSA_Mode: single pair_mode: unpaired...

Python 3 support

4

Hi! This looks like a great library! I've been using pydoit and snakemake up to now. I noticed, that travis is configured to test only python 2.7. Are there any...

Getting legend for multilayer chart

32

Is it possible to make a legend for such a chart ```python import altair as alt import numpy as np import pandas as pd x = np.arange(100) data = pd.DataFrame({'x':...

Wishlist: support for zlib compression in Tiff files

2

* Picasso version: 0.4 * Python version: 3.8.5 * Operating System: Win10 ### Description Trying to load a tiff with zlib compression. In my particular case there is a huge...

Wishlist: Looking at fit parameters

5

Picasso version: 0.4 (pip) Python version: 3.8.5 Operating System: Win 10 ### Description I'm looking for the best way to filter the fitted localizations. I would like to click on...