Print

Print


Not sure what you guys are trying to accomplish, but I used the "hollow" package which generates probe atoms in PDB format suitable for loading into PyMol or coot. (Have not worked with this for a while hopefully I don't have to eat my words (-: )
http://hollow.sourceforge.net/

HTH 

Carsten

-----Original Message-----
From: Mailing list for users of COOT Crystallographic Software [mailto:[log in to unmask]] On Behalf Of Oliver Clarke
Sent: Tuesday, March 31, 2015 2:58 PM
To: [log in to unmask]
Subject: Re: [COOT] Export HOLE-coot atoms as pdb

Hi Alex,

I don't believe there is a way to do this at present (the probe dots are not atoms and as such cannot be manipulated in the same way), but I would also find this useful, for exactly this purpose.

Cheers,
Oliver.

On Mon, 30 Mar 2015 14:00:03 -0700, Alexander Kintzer <[log in to unmask]> wrote:

>Hello all,
>
>I am looking to export the probe atoms generated by HOLE in coot as a 
>pdb or equivalent to make a figure in pymol or chimera. The probes are 
>visible in coot and I can make plots of probe radius vs coordinate, but 
>haven't found a way to export the probe coordinates in the documentation.
>
>any suggestions would be appreciated.
>
>best,
>Alex
>