dear colleagues,
after working around the topic for a while now or avoiding it
alltogether, it has now become time to ask:
could some friendly soul point me to a program that would create a .mol
or .sdf file from
1. a refmac dictionary file (to yield a .mol file randomly positioned
and oriented)
or
2. from a pdb file and a refmac dictionary file (to yield a .mol file in
a specific position, orientation, conformation)
???
1. there can be no GUI or manual interaction involved.
2. it needs to work with the refmac dictionary , else i feel i can not
trust the connectivities. i have quite a collection of own dictionary
files (all done, checked or fixed-up over the time with the sketcher)
that i would like to draw upon ...
greetings
ingo
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