I am using ccp4 version release-5_0_2.
I am using ccp4i.
My compiler is: native
I installed using compilesource
The problem is as follows:
We're fairly new to Refmac5 and having some trouble with DNA (with 3A data).
(1) It is warping our thymines - specifically, the 5-methyl C gets bent
out-of-plane.
I can add C5M to the list of atoms that should be coplanar in Td_mon_lib.cif
(shouldn't it be there by default??), but now what do I do with the editted
file so that it will read mine rather than the default?
(2) In an iffy part of the map, the H-bonding between bases is getting ugly.
Given that the data doesn't rigidly specificy the positions of those bases, but
that Watson & Crick were right for most cases, I'd like to restrain them. How?
(3) Relative to a CNS-refined earlier model, the torsion angle about c4*-c5*
is, on average, far more eclipsed. Should I just crank up some restraints, or
is this not included in the default list of torsion angles to be watched
(haven't deciphered the fine print yet for this one)?
thanks,
Phoebe Rice
The program is refmac5.
Thanks in advance,
Phoebe Rice, [EMAIL PROTECTED]
