Christoph Leberecht

icon company @pharmai icon location Dresden icon location Architecture, data models and algorithms for structural biology, chemoinformatics and applied mathematics.

Results 3 comments of Christoph Leberecht

HET from custom .pdb file created in PyMOL not parsed correctly by plip

Hi fabioatuib, thank you for the request. This seems to be an issue with the connect records. You could have some luck [explicitly adding connections](https://pymolwiki.org/index.php/Pdb_conect_all). If this does not help,...

HET from custom .pdb file created in PyMOL not parsed correctly by plip

Hey fabioatuib, PLIPs focus is solely to predict interactions. Parsing and visualization tasks are outsources to other tools. The problem you are experiencing is a problem of the visualization. The...

Order y-axis categories on ggforce::geom_parallel_sets

Sorting would be great. In its current state this implementation unfeasible for publication. Switching from alphabetically to factor order would be enough for most applications.