Hi Keith--
>
> I’d like to add a PosDiffPot to the tcl scripts sa_pass2.tcl and sa_pass3.tcl
> used in the PASD algorithm. However, I can only find python scripts that call
> create_PosDiffPot after importing posDiffPotTools. There are no examples using
> the Tcl interface.
>
Hmm. I just took a look and... that is more difficult than I thought.
An easier way forward would be to use the old-style XPLOR NCS command
like this:
XplorCommand {
ncs restraints
initialize
group
equi (segid AS_A)
equi (segid AS_B)
equi (segid AS_C)
equi (segid AS_D)
equi (segid AS_E)
weight = 1000
end
end
}
set ncs [create_XplorPot NCS]
I hope this helps--
Charles
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