Re: [PyMOL] neutral aminoacids

2013-10-12 Thread Osvaldo Martin
In my first e-mail I made a mistake a protonated His is a charged His. Thanks to the guidance of Jason I found that the more convenient way to solve my problem was modifying the file "/usr/lib/python2.7/dist-packages/pymol/editor.py", inside that file there is dictionary, relating the names of the

Re: [PyMOL] neutral aminoacids

2013-10-11 Thread Osvaldo Martin
Thanks for the tip! On Fri, Oct 11, 2013 at 8:53 AM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Osvaldo, > > To make PyMOL pick fragments from another location just edit the path > at the top of pymol/modules/chempy/fragments/__init__.py. > > The fab command is in pymol/modules/py

Re: [PyMOL] neutral aminoacids

2013-10-11 Thread Jason Vertrees
Osvaldo, To make PyMOL pick fragments from another location just edit the path at the top of pymol/modules/chempy/fragments/__init__.py. The fab command is in pymol/modules/pymol/editor.py. Cheers, -- Jason On Thu, Oct 10, 2013 at 11:38 PM, Osvaldo Martin wrote: > BTW, there is an easy opti

Re: [PyMOL] neutral aminoacids

2013-10-10 Thread Osvaldo Martin
BTW, there is an easy option to make cmd.fab() to pick the fragments from an alternative location? (just to avoid modifying the original fragments files) thanks, Osvaldo. On Fri, Oct 11, 2013 at 12:32 AM, Osvaldo Martin wrote: > Ok, I will try editing those files. > > Cheers, > > Osvaldo. > > >

Re: [PyMOL] neutral aminoacids

2013-10-10 Thread Osvaldo Martin
Ok, I will try editing those files. Cheers, Osvaldo. On Fri, Oct 11, 2013 at 12:12 AM, Jason Vertrees < jason.vertr...@schrodinger.com> wrote: > Hi Osvaldo, > > This isn't built in yet. But, if you need to do that, you can edit the > Python picked files found here: > > pymol/data/chempy/fragme

Re: [PyMOL] neutral aminoacids

2013-10-10 Thread Jason Vertrees
Hi Osvaldo, This isn't built in yet. But, if you need to do that, you can edit the Python picked files found here: pymol/data/chempy/fragments Cheers -- Jason On Thu, Oct 10, 2013 at 2:41 PM, Osvaldo Martin wrote: > > I am using the comand cmd.fab() to create small peptides. There is an easy