[Chimera-users] insightgrid.py

[Markus Heller]

Hi Tom,

Quick follow-up: I tried the script in Chimera 1.12, but got an error about the file format, that the file doesn't start with line "RBT FFT GRID".

No surprise there, the file I'm looking at is the output from a PLI H2O map, which I've attached below.  Would you be able to adapt the script or tell me what changes I need to make to my file in order for it wo work?

Thanks and Cheers
Markus

Here are the first few lines of the file:

PLI field for H2O
(1F10.3)
    36.000    31.500    31.500    90.000    90.000    90.000
        72        63        63
         1        17        89       -38        25       -39        24
     0.000
     0.000
     0.000
     0.000
     0.000


From: Tom Goddard <goddard at sonic.net> 
Sent: Monday, May 14, 2018 3:21 PM
To: Markus Heller <mheller at cdrd.ca>
Cc: chimera-users at cgl.ucsf.edu BB <chimera-users at cgl.ucsf.edu>
Subject: Re: [Chimera-users] insightgrid.py

Hi Markus,

  The insightgrid.py script is on the Chimera Python scripts web site:

	http://plato.cgl.ucsf.edu/trac/chimera/wiki/Scripts

  Tom



On May 14, 2018, at 3:06 PM, Markus Heller <mailto:mheller at cdrd.ca> wrote:

Hi all,

I'm looking for a copy of Tom's insightgrid.py script, referenced here:

http://www.cgl.ucsf.edu/pipermail/chimera-users/2014-March/009651.html

If somebody could let me know how to get hold of a copy, that'd be great!

Thanks and Cheers
Markus


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