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RE: [ccp4bb]: REFMAC alternate conformations
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Hi Matt
No, you use the exact pdb standard definition of alternate conformations, which is A or B or C in the column just before the residue name. Like down here:
ATOM 3669 N GLN A 246 5.001 7.023 -21.098 1.00 9.80
ATOM 3671 CA GLN A 246 3.854 6.505 -21.795 1.00 10.05
ATOM 3673 CB GLN A 246 4.126 5.131 -22.417 1.00 10.07
ATOM 3676 CG BGLN A 246 3.044 4.655 -23.340 0.50 10.97
ATOM 3677 CG AGLN A 246 2.972 4.734 -23.327 0.50 12.00
ATOM 3682 CD BGLN A 246 2.950 5.431 -24.656 0.50 11.31
ATOM 3683 CD AGLN A 246 3.196 3.468 -24.138 0.50 14.88
ATOM 3684 OE1BGLN A 246 3.932 5.981 -25.157 0.50 11.54
ATOM 3685 OE1AGLN A 246 3.656 3.530 -25.274 0.50 15.77
ATOM 3686 NE2BGLN A 246 1.771 5.436 -25.235 0.50 12.12
ATOM 3687 NE2AGLN A 246 2.824 2.323 -23.572 0.50 13.34
Note the enormous convenience of this astounding conformance to standards, especially used together with another conforming building program building program such as XtalView.
phx.
-----Original Message-----
From: mwilkers [mailto:mwilkers@utk.edu]
Sent: Friday, November 08, 2002 12:30 PM
To: ccp4
Subject: [ccp4bb]: REFMAC alternate conformations
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*** CCP4 home page http://www.ccp4.ac.uk ***
Does anyone know how to input possible alternate conformations of an amino
acid into REFMAC. Will I need two sets of coordinates?
Matt W.