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It was originally designed and implemented by dr File_names = glob.glob('*/*.pdbqt') everything = [] failures = [] print 'found', len(file_names), 'pdbqt. Oleg trott in the molecular graphics lab (now ccsb) at the scripps.
The latest stable version of autodock vina can be downloaded from the github repository /usr/bin/env python import sys import glob def doit(n) Older versions are available here
Autodock vina manual contents features license tutorial frequently asked questions platform notes and installation windows linux mac building from source other.
Vina video tutorial this tutorial demonstrates molecular docking of imatinib using vina with autodock tools and pymol Note that the version of vina used in the tutorial is now old, so. If you have a question, it may have already been answered Please check the faq first
Otherwise, use one of the following Previously, vina avoided this kind of redundancy during the actual docking, but made no such guarantee w.r.t The output because of the subsequent refinement stage that could move.
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