Re: [PyMOL] Guessing bonds for a chempy model.

2013-09-19 Thread Thomas Holder
Hi Raul,

I don't think the bond guessing routine is exposed to the python API.
This would actually be very useful, so I take this as a feature request.
Meanwhile, I guess you need some workaround like dumping to PDB format
and loading as PDB again. Have a look at cmd.get_pdbstr and cmd.read_pdbstr.

Cheers,
  Thomas

Raúl Mera Adasme wrote, On 09/17/13 19:15:
 Hi all,
 
 I want to load a chempy model into PyMOL. Unfortunately, the model has
 all the coordinate information, but not bonds defined.
 I know PyMOL can guess the bonds from the distances, but it does not
 do it if I just use cmd.load_model, and I could not find a way of
 doing it.
 
 Does anyone know how can I achieve this?
 
 Thanks!
 
 Raul
-- 
Thomas Holder
PyMOL Developer
Schrödinger Contractor

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[PyMOL] Guessing bonds for a chempy model.

2013-09-17 Thread Raúl Mera Adasme
Hi all,

I want to load a chempy model into PyMOL. Unfortunately, the model has
all the coordinate information, but not bonds defined.
I know PyMOL can guess the bonds from the distances, but it does not
do it if I just use cmd.load_model, and I could not find a way of
doing it.

Does anyone know how can I achieve this?

Thanks!



Raul

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