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Load bonds from file?

Started by eahenle, January 24, 2021, 08:29:33 PM

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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

No, the bonds are not read, and dynamically recomputed. VMD can read the bonds from file I think (without recomputing them).