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Would be useful to expose the backbone and atomname variables in add_virtual_sites, to more easily control where to place the GoVirt bead and how to name it, via the CLI.
Would be useful to expose the
backbone
andatomname
variables inadd_virtual_sites
, to more easily control where to place the GoVirt bead and how to name it, via the CLI.vermouth-martinize/vermouth/rcsu/go_vs_includes.py
Line 63 in dbe0d76
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