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Feature #2289

gmx spatial add ability to perform over multiple reference structures

Added by Dallas Warren about 2 years ago.

Status:
New
Priority:
Normal
Assignee:
-
Category:
analysis tools
Target version:
-
Difficulty:
uncategorized
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Description

In version 4.0.7, I think it was, there was the ability to generate SDFs over multiple molecules / reference structures using g_sdf.

Now can only have a single reference structure. Imagine being only to generate a RDF between a single reference atom and the other group of atoms of interest. Being limited to a single reference structure severely limits it's utility.

Would be great if this functionality was able to be added back.

Also available in: Atom PDF