Re: [PyMOL] ContactsNCONT script error

2011-05-26 Thread Campeotto, Ivan
Dear Tsjerk and Michael, Thank you for your quick reply. The script is now working. Thank you again, Ivan Campeotto From: Tsjerk Wassenaar [tsje...@gmail.com] Sent: 26 May 2011 07:18 To: Michael Lerner Cc: Campeotto, Ivan; pymol-users@lists.sourceforge.n

Re: [PyMOL] ContactsNCONT script error

2011-05-26 Thread Michael Lerner
The webpage is now indented correctly. Oddly enough, it was only mis-indented for top-level lines (def, def, cmd.extend). Everything else was consistent. On Thu, May 26, 2011 at 5:34 AM, Campeotto, Ivan wrote: > Dear Tsjerk and Michael, > > Thank you for your quick reply. > The script is now wo

Re: [PyMOL] ContactsNCONT script error

2011-05-26 Thread Campeotto, Ivan
Dear Michael, Thank you for updating the script. Now it does not give any error, however, I have a new issue. The logfile from NCONT looks like this: LIST OF CONTACTS : == source atoms target atoms distance angle symmetry operation Lys24A CA Asp 2

[PyMOL] How to construct a view showing only a single contiguous cavity

2011-05-26 Thread Ben Roberts
Hi all, Thanks to Michael and Jason for their suggestions. I apologise for starting a new thread; I had inadvertently deleted the email conversation. I looked into hollow, but since the binding pocket is large and very irregularly shaped, it seemed as though it would be tricky to include the whol