
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
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participants (2)
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S Joshua Swamidass
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Thomas Goddard