20 Dec
2004
20 Dec
'04
1:47 p.m.
Hello,
I have a bit of code to contribute. It allows chimera to read grid files in the GUASSIAN ascii grid format described here: http://www.ks.uiuc.edu/Research/vmd/plugins/molfile/cubeplugin.html It ignores any bond information.
Who should i send it to so it will be incorporated into future releases?
S Joshua Swamidass
20 Dec
20 Dec
2:37 p.m.
Hi Joshua,
I tried your Gaussian cube file reader and it worked fine. I'll look at including it in Chimera.
I may want to create the atoms when the file is read. Also the documentation says the number of atoms can be negative indicating it is an orbital cube file. I may want to handle that case, or at least give a sensible error message if such a file is read.
Thanks for contributing your code.
Tom
7091
Age (days ago)
7091
Last active (days ago)
1 comments
2 participants
participants (2)
-
S Joshua Swamidass
-
Thomas Goddard