[ccp4bb] Torsion restraints in refmac

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CCP4bb <-- 2007 <-- September 2007 <-- 19 September 2007

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Subject: Re: arp/warp in p22121
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2007-09-19

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From: Miriam-Rose Ash ash {- at -} FMP-BERLIN {- dot -} DE
Date: 2007-09-19

Subject: Torsion restraints in refmac
From: Eckhard Hofmann eckhard {- dot -} hofmann {- at -} BPH {- dot -} RUHR-UNI-BOCHUM {- dot -} DE
Date: 2007-09-19

Dear all,
just checking my cofactor dictionary produced with prodrg in refmac I
realized that the torsion restraints are not taken into account with my
default settings. I noticed the old posting from 2001, that "var_" is
not used, but if I input an additional line by hand with

restr tors include resi XXX name var_1 value 180 sigma 0.1 period 2

at least this one pops up in the monitoring. So I reckon this naming
issue is not current any more. Additionally sketcher/libcheck also
produces these variables.

Now I really would prefer activating all 14 or so torsions in the
cif-file and not inputting them separately.
Anything I overlook here? Any additional keyword I overlooked?

Thanks for any input!
Cheers,
Eckhard

PS: Using refmac_5.2.0019 with ccp4i 1.4.4.2

--
Eckhard Hofmann
Ruhr-Uni Bochum
AG Proteinkristallographie, LS Biophysik, ND04/316
44780 Bochum
Tel: +49-(0)234/32-24463, Sekr. -24461, FAX: -14762

CCP4bb navigation

CCP4bb <-- 2007 <-- September 2007 <-- 19 September 2007

Previous message:
Subject: Re: arp/warp in p22121
From: Ian Tickle I {- dot -} Tickle {- at -} ASTEX-THERAPEUTICS {- dot -} COM
Date: 2007-09-19

Next message:
Subject: Has anyone seen such density?
From: Miriam-Rose Ash ash {- at -} FMP-BERLIN {- dot -} DE
Date: 2007-09-19