search

CBDD / rDock

rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.
https://rdock.github.io
GNU Lesser General Public License v3.0
51 stars 22 forks source link

Rblist #94

Closed alejandrovr closed 7 months ago

alejandrovr commented 7 months ago

modified slightly rblist to log also the ph4 type, this way i can then read it via subprocess call