REFMAC 5.7

From: Morten Groftehauge
Date: 16 February 2012 14:39

Dear board,

How do I define base-pairing restraints in DNA in REFMAC 5.7?

Cheers,

Morten

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Morten K Grøftehauge, PhD 

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From: Tim Gruene

Dear Morten,

the 'external' keyword as e.g. exploited by Rob Nicholls' prosmart
http://www2.mrc-lmb.cam.ac.uk/groups/murshudov/ Software->ProSmart could
probably do that. The syntax reads like

"exte dist first chain I resi 9 ins . atom  N   second chain I resi 9
ins . atom  O   value 3.35374 sigma 0.1"

(all in one line)

Read the prosmart documentation for how to use this in refmac.

Tim
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Dr Tim Gruene