Re: [PyMOL] save pdb with headers

[Jason V. <jas...@sc...>]

Hi Osvaldo,

Sorry for the delay. Mobile PyMOL development is taking up most of my time now.

There is no easy way. You'd need to wrap the save function. It would
look something like (warning untested code follows):

def my_save(file,object,header):

  # make sure there's a newline after the header

  suff = "" if header[-1]=='\n' else '\n'

  f = open(file, 'wb')

  # write the header

  f.write(header+suff)

  # write the PDB

  f.write(cmd.get_pdbstr(object))

  f.close()


You would then call this as:

my_save myFile.pdb, myObject, myHeader.

Cheers,

-- Jason

On Thu, Apr 5, 2012 at 1:33 PM, Osvaldo Martin <alo...@gm...> wrote:
> Hi,
>
> There is an easy way to save a pdb adding custom headers using PyMol?
>
> Thanks.
>
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-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrödinger, LLC

(e) Jas...@sc...
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