Hi all Sorry for a non CCP4 question. I m using CNS for structure refinement. The structure is having few residues in alternate confirmations. i can see the density for those alternate confirmations. i m defining those alternate confirmations in the pdb but while generating the topology file, the information of alternate confirmations is getting lost. how can i define the alternate confirmations in generate.inp n minimize.inp.
the way i m defining the alternate confirmations in pdb : ATOM 6101 1N LYS D 93 83.029 39.489 93.510 0.50 42.90 D N ATOM 6101 2N LYS D 93 83.028 39.495 93.498 0.50 42.90 D N ATOM 6102 1CA LYS D 93 82.366 40.672 93.101 0.50 41.09 D C ATOM 6102 2CA LYS D 93 82.391 40.686 93.075 0.50 41.09 D C ATOM 6103 1CB LYS D 93 83.019 41.834 93.797 0.50 41.27 D C ATOM 6103 2CB LYS D 93 83.119 41.836 93.691 0.50 41.27 D C ATOM 6104 1CG LYS D 93 82.331 42.627 94.824 0.50 43.61 D C ATOM 6104 2CG LYS D 93 82.419 42.747 94.517 0.50 43.61 D C ATOM 6105 1CD LYS D 93 81.797 42.040 96.162 0.50 43.24 D C ATOM 6105 2CD LYS D 93 82.004 42.209 95.769 0.50 43.24 D C ATOM 6106 1CE LYS D 93 82.265 40.647 96.659 0.50 43.68 D C ATOM 6106 2CE LYS D 93 80.982 43.099 96.495 0.50 43.68 D C ATOM 6107 1NZ LYS D 93 82.884 40.390 97.999 0.50 43.36 D N ATOM 6107 2NZ LYS D 93 80.832 44.665 96.562 0.50 43.36 D N ATOM 6108 1C LYS D 93 82.478 40.825 91.578 0.50 39.28 D C ATOM 6108 2C LYS D 93 82.477 40.826 91.567 0.50 39.28 D C ATOM 6109 1O LYS D 93 82.412 41.847 91.106 0.50 38.72 D O ATOM 6109 2O LYS D 93 82.408 41.844 91.093 0.50 38.72 D O Thanks in advance vineet gaur
