Just one more question, what are these normal values?
Em sex, 1 de nov de 2019 às 02:43, Pedro Lacerda <pslace...@gmail.com>
escreveu:
> Hi Thomas,
>
> The cmd.get_volume_field() returns a sparse ndarray with unknow layout and
> all dimensions variables depending of the object. How to interpret such
> array?
> On PyMOL 1.x it returned -1 but in 2.x returned the array.
>
> The dump command worked (almost) like a charm.
> I expect to extract the "dump" array from get_volume_field() so don't need
> to write the file just to be read and deleted afterwards. Is it possible?
>
> Hi Jared,
>
> The COLLADA option exports unlabeled mesh objects so I couldn't figure out
> which one is acceptor or donor.
>
>
> Em qua, 30 de out de 2019 às 15:20, Thomas Holder <
> thomas.hol...@schrodinger.com> escreveu:
>
>> Hi Pedro,
>>
>> There is a "dump" command which exports all surface points and normals to
>> a text file.
>>
>> dump /tmp/dump.txt, acceptor_17
>>
>> Each line will have 6 numbers, 3 for the position, and 3 for the normal.
>>
>> For cmd.get_volume_field you need the map name, not the surface name.
>>
>> data = cmd.get_volume_field('acceptor')
>> print(data)
>>
>>
>> Hope that helps.
>>
>> Cheers,
>> Thomas
>>
>>
>> > On Oct 30, 2019, at 6:42 AM, Pedro Lacerda <pslace...@gmail.com> wrote:
>> >
>> > And cmd.get_volume_field is returning -1.
>> >
>> > Em qua, 30 de out de 2019 às 02:00, Pedro Lacerda <pslace...@gmail.com>
>> escreveu:
>> > Hi,
>> >
>> > How can I access the underlying coordinates of acceptor, donor and
>> apolar surface objects on the given session given by the following server?
>> Coords akin to dot representation would suffice.
>> >
>> > http://fragment-hotspot-maps.ccdc.cam.ac.uk/results_table
>> > http://fragment-hotspot-maps.ccdc.cam.ac.uk/result/1542
>> >
>> > An example of session is attached.
>> >
>> > --
>> > Pedro Sousa Lacerda
>> >
>> > Laboratório de Bioinformática e Modelagem Molecular
>> > Faculdade de Farmácia / UFBA
>> >
>> > @pslacerda
>> > +55 71 9 9981-1856
>> >
>> > ARSB_hotspots.pse
>> >
>> >
>> > --
>> > Pedro Sousa Lacerda
>> >
>> > Laboratório de Bioinformática e Modelagem Molecular
>> > Faculdade de Farmácia / UFBA
>> >
>> > @pslacerda
>> > +55 71 9 9981-1856
>> > _______________________________________________
>> > PyMOL-users mailing list
>> > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>> > Unsubscribe:
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>>
>> --
>> Thomas Holder
>> PyMOL Principal Developer
>> Schrödinger, Inc.
>>
>>
>
> --
> Pedro Sousa Lacerda
>
>
> *Laboratório de Bioinformática e Modelagem Molecular*
> *Faculdade de Farmácia / UFBA*
>
> *@pslacerda*
>
> *+55 71 9 9981-1856*
>
--
Pedro Sousa Lacerda
*Laboratório de Bioinformática e Modelagem Molecular*
*Faculdade de Farmácia / UFBA*
*@pslacerda*
*+55 71 9 9981-1856*
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