All-
Chemical Entities of Biological Interest (ChEBI) is dictionary of small
molecular entities. While it understands SMILES, it does not have Jmol's
ability to FIND SMILES. Nevertheless, one can query the dictionary with an
InChiKey. With the help of NIH/NCI Resolver, therefore, a Jmol model c
It's true, thank you very much.
> note that "frame all" there does nothing -- just shows frame 1 (unless
> that
> receptor file has more than one model)
>
> On Mon, Mar 14, 2011 at 10:07 AM, wrote:
>
>> Following instructions provided by Ángel Herráez, here is an easy
>> "recipe"
>> to show a doc
note that "frame all" there does nothing -- just shows frame 1 (unless that
receptor file has more than one model)
On Mon, Mar 14, 2011 at 10:07 AM, wrote:
> Following instructions provided by Ángel Herráez, here is an easy "recipe"
> to show a docking result, i.e. a receptor-ligand model (pdb r
Following instructions provided by Ángel Herráez, here is an easy "recipe"
to show a docking result, i.e. a receptor-ligand model (pdb receptor,
pdbqt ligand generated by Autodock).
I work with two differente files, my first approach was with the receptor
and the ligand structures in the same file
there's a TimeOut command now.
On Mon, Mar 14, 2011 at 4:44 AM, Rolf Huehne wrote:
> On 03/12/2011 05:07 PM, Alexander Rose wrote:
> > Hi,
> >
> > thanks Paul, but that does not describe exactly what I want to do. Let me
> clarify.
> >
> > I can start Jmol with
> >
> > java -jar Jmol.jar -s scr
On 03/12/2011 05:07 PM, Alexander Rose wrote:
> Hi,
>
> thanks Paul, but that does not describe exactly what I want to do. Let me
> clarify.
>
> I can start Jmol with
>
> java -jar Jmol.jar -s scriptFileName
>
> and everything in 'scriptFileName' gets executed. However, I want to start
> Jmo
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