iRASPA Community

iRASPA => Importing and exporting => Topic started by: eahenle on January 24, 2021, 08:29:33 PM

Title: Load bonds from file?
Post by: eahenle 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.
Title: Re: Load bonds from file?
Post by: David Dubbeldam 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).