Does anyone have methods, scripts etc for getting alternate
conformations in & out of O, since O messes them up? (& also doesn't
draw them)
eg what goes in as
ATOM 141 N AHIS 30 24.620 1.343 2.060 0.75 32.52 7
ATOM 142 CA AHIS 30 23.593 0.438 2.601 0.75 28.70 6
ATOM 143 C AHIS 30 22.555 1.237 3.368 0.75 30.36 6
ATOM 144 O AHIS 30 22.874 2.253 3.997 0.75 29.20 8
ATOM 145 CB AHIS 30 24.342 -0.475 3.562 0.75 27.66 6
ATOM 146 CG AHIS 30 23.642 -1.644 4.173 0.75 24.98 6
ATOM 147 ND1AHIS 30 24.029 -2.914 3.826 0.75 23.87 7
ATOM 148 CD2AHIS 30 22.593 -1.750 5.039 0.75 22.47 6
ATOM 149 CE1AHIS 30 23.255 -3.780 4.479 0.75 23.52 6
ATOM 150 NE2AHIS 30 22.434 -3.107 5.240 0.75 24.16 7
ATOM 151 N BHIS 30 24.685 1.227 2.115 0.25 35.07 7
ATOM 152 CA BHIS 30 23.613 0.376 2.620 0.25 35.18 6
ATOM 153 C BHIS 30 22.551 1.240 3.303 0.25 34.14 6
ATOM 154 O BHIS 30 22.896 2.227 3.959 0.25 33.84 8
ATOM 155 CB BHIS 30 24.111 -0.680 3.611 0.25 38.03 6
ATOM 156 CG BHIS 30 25.144 -1.604 3.046 0.25 39.65 6
ATOM 157 ND1BHIS 30 24.851 -2.657 2.213 0.25 40.66 7
ATOM 158 CD2BHIS 30 26.489 -1.576 3.160 0.25 40.77 6
ATOM 159 CE1BHIS 30 25.979 -3.247 1.863 0.25 41.09 6
ATOM 160 NE2BHIS 30 26.994 -2.623 2.429 0.25 40.81 7
comes out as
ATOM 141 NA HIS 30 24.623 1.327 2.064 0.75 33.15 7
ATOM 142 CAA HIS 30 23.591 0.435 2.604 0.75 29.80 6
ATOM 143 CA HIS 30 22.551 1.240 3.364 0.75 30.69 6
ATOM 144 OA HIS 30 22.856 2.272 3.973 0.75 29.73 8
ATOM 145 CBA HIS 30 24.339 -0.467 3.575 0.75 28.77 6
ATOM 146 CGA HIS 30 23.634 -1.640 4.170 0.75 26.65 6
ATOM 147 ND1 HIS 30 24.019 -2.911 3.822 0.75 25.59 7
ATOM 148 CD2 HIS 30 22.587 -1.742 5.045 0.75 24.46 6
ATOM 149 CE1 HIS 30 23.247 -3.772 4.484 0.75 25.50 6
ATOM 150 NE2 HIS 30 22.433 -3.094 5.255 0.75 25.80 7
ATOM 151 NB HIS 30 24.688 1.227 2.120 0.25 35.01 7
ATOM 152 CAB HIS 30 23.613 0.383 2.626 0.25 35.14 6
ATOM 153 CB HIS 30 22.547 1.248 3.300 0.25 33.91 6
ATOM 154 OB HIS 30 22.848 2.326 3.817 0.25 33.41 8
ATOM 155 CBB HIS 30 24.109 -0.673 3.618 0.25 37.19 6
ATOM 156 CGB HIS 30 25.134 -1.606 3.053 0.25 38.75 6
ATOM 157 ND1 HIS 30 24.838 -2.648 2.208 0.25 39.53 7
ATOM 158 CD2 HIS 30 26.480 -1.596 3.177 0.25 39.70 6
ATOM 159 CE1 HIS 30 25.959 -3.248 1.860 0.25 39.70 6
ATOM 160 NE2 HIS 30 26.978 -2.642 2.442 0.25 39.50 7
& has to be hand edited before going back into refinement
Phil
--
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Smail: Phil Evans
MRC Laboratory of Molecular Biology, Hills Road,
Cambridge, CB2 2QH, UK
Phone: +44-(1223)-402211 Fax: +44-(1223)-213556
Email: pre@mrc-lmb.cam.ac.uk
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