[Chimera-users] AutoDOCK plugin for UCSF Chimera
jmsstarlight at gmail.com
Thu Oct 8 01:04:35 PDT 2020
Thank you so much Elaine!
I've just found that it exists in the Autodock-Tools (obviously!) GUI.
There are also separate python scripts, which could manipulate with
DLG filles (combining, reclustering etc). Anyway it would be
definetely cool if one day some plugin for DLG files could be found in
Chimera as well (since I prefere it to ADT!). In any case, feel free
to contact me, if you need to test it.
ср, 7 окт. 2020 г. в 17:14, Elaine Meng <meng at cgl.ucsf.edu>:
> Hi Gleb,
> Sorry no, Chimera and ChimeraX cannot directly read or manipulate DLG (docking log) files from AutoDock.
> In Chimera, the Viewdock tool can read .pdbqt files from Autodock or Autodock Vina (the docking tool used Vina, which as far as I know does not make .dlg files).
> ChimeraX has a similar tool for viewing docking results, ViewDockX. Again it reads .pdbqt but not .dlg.
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> > On Oct 7, 2020, at 1:30 AM, James Starlight <jmsstarlight at gmail.com> wrote:
> > Dear Chimera users!
> > Having already used AUTODOCK plugin of UCSF Chimera (for simple
> > docking of 1 receptor with the ligand and structural examination of
> > binding pocket) I wonder to know whether there is some tool built-in
> > CHIMERA (or ChimeraX) suitable for the manipulating with DLG filles produced by
> > Autodock? Particularly I would be interested to combine several DLG
> > filles with their further reclasterization (in the same manner like it
> > could be found in Autodock-Tools) and examination of particular
> > clusters.
> > I would be helpful for any suggestions!
> > Kind regards
> > Gleb
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