I'm working on a web interface for viewing the results of docking using
AutoDock and AutoDock Vina. It looks like FirstGlance or Jmol Protein
Explorer will provide good starting points, but there are a few questions.
The results of docking are .pdbqt files which Jmol doesn't support. I've
written a script that parses the file and the receptor and writes each of
the pose/receptor pairs into separate PDB files. Ideally I'd like to be able
to avoid this step but I'm not sure how I could load the receptor into Jmol,
then load a file containing multiple poses, then scroll through each pose.
For those of you that are familiar, Autodock Tools does this fairly well but
it is a standalone application.
If there is anyone out there who is using Jmol for looking at docking
results, I'd like to hear how you're approaching this. Thanks!
-Brian
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