Author Topic: Load bonds from file?  (Read 246 times)

eahenle

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Load bonds from file?
« on: January 24, 2021, 08:29:33 PM »
Hello!

I am working on a project that involves programmatically specifying bonds, and would like to visualize the results.  Will iRASPA read bonds out of a .cif file, or are the inferred bonds the only option?  Sorry if this is RTFM, and thanks in advance.

David Dubbeldam

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Re: Load bonds from file?
« Reply #1 on: February 04, 2021, 02:00:29 PM »
No, the bonds are not read, and dynamically recomputed. VMD can read the bonds from file I think (without recomputing them).