I can reproduce this. Coot 0.6.2 3562, CCP4 6.2.0, installed using fink on OS X
10.6.8
There are 2 data in /sw64/share/coot/lib/data/monomers/g/GR.cif
There are 2 data in /sw64/share/coot/lib/data/monomers/g/GD.cif
I have the same B-factors for G as in Francis' e-mail so I guess we have the
same monomer library - it seems odd that those for the ribose/phosphate are so
different from the base:
(2) P /1/A/1/G, occ: 1 with B-factor: 76.88 element: " P" at
(39.6844,26.275,26.2063)
(2) OP1/1/A/1/G, occ: 1 with B-factor: 78.59 element: " O" at
(40.52,26.881,27.2727)
(2) OP2/1/A/1/G, occ: 1 with B-factor: 75.2 element: " O" at
(39.2682,24.8627,26.2543)
(2) O5'/1/A/1/G, occ: 1 with B-factor: 78.76 element: " O" at
(38.3451,27.1357,26.0928)
(2) C5'/1/A/1/G, occ: 1 with B-factor: 77.93 element: " C" at
(38.2659,28.5225,26.4572)
(2) C4'/1/A/1/G, occ: 1 with B-factor: 78.66 element: " C" at
(36.8162,28.983,26.4403)
(2) O4'/1/A/1/G, occ: 1 with B-factor: 79.49 element: " O" at
(36.185,28.7155,25.1419)
(2) C3'/1/A/1/G, occ: 1 with B-factor: 78.23 element: " C" at
(35.9012,28.308,27.4549)
(2) O3'/1/A/1/G, occ: 1 with B-factor: 77.17 element: " O" at
(36.069,28.919,28.7417)
(2) C2'/1/A/1/G, occ: 1 with B-factor: 79.34 element: " C" at
(34.5327,28.5477,26.7906)
(2) O2'/1/A/1/G, occ: 1 with B-factor: 79.34 element: " O" at
(34.0297,29.8752,26.9092)
(2) C1'/1/A/1/G, occ: 1 with B-factor: 78.22 element: " C" at
(34.8445,28.2835,25.3134)
(2) N9 /1/A/1/G, occ: 1 with B-factor: 20 element: " N" at
(34.6664,26.8914,24.8618)
(2) C8 /1/A/1/G, occ: 1 with B-factor: 20 element: " C" at
(35.642,26.0221,24.4301)
(2) N7 /1/A/1/G, occ: 1 with B-factor: 20 element: " N" at
(35.1835,24.8398,24.0816)
(2) C5 /1/A/1/G, occ: 1 with B-factor: 20 element: " C" at
(33.8113,24.9174,24.2875)
(2) C4 /1/A/1/G, occ: 1 with B-factor: 20 element: " C" at
(33.4712,26.1664,24.7702)
(2) N1 /1/A/1/G, occ: 1 with B-factor: 20 element: " N" at
(31.5322,24.4256,24.4388)
(2) C2 /1/A/1/G, occ: 1 with B-factor: 20 element: " C" at
(31.2804,25.6882,24.9068)
(2) N3 /1/A/1/G, occ: 1 with B-factor: 20 element: " N" at
(32.2166,26.6043,25.0936)
(2) C6 /1/A/1/G, occ: 1 with B-factor: 20 element: " C" at
(32.7971,23.9412,24.1001)
(2) O6 /1/A/1/G, occ: 1 with B-factor: 20 element: " O" at
(32.9177,22.7756,23.6884)
(2) N2 /1/A/1/G, occ: 1 with B-factor: 20 element: " N" at
(30.0137,25.9864,25.1789)
Is this only an issue with the fink distributed Coot?
Huw
--
Dr Huw Jenkins
University of Leeds
Leeds, LS2 9JT
