ELELAB / mutatex

scripts and facilities for in-silico mutagenesis with FoldX
GNU General Public License v3.0
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PCA feature #169

Closed Alvaroguleon closed 1 year ago

Alvaroguleon commented 1 year ago

fixes #168 The setup.py has been updated so that it yields no errors when installing MutateX from scratch. I have not included adjustText as a requirement though, so it will probably need to be installed manually.

he version of ddg2pca committed plots a PCA biplot and a scree plot. The default PCA plot groups the residues of the PDB file according to their nature and shows a scatter and a text visualization. The color and group of the residues can be changed with the configuration file, the textfile can be used to select a subset of label texts to see, and the poslist can be used to select a subset of residues to see overall.