[ccp4bb] Script / matrix for coordinate transformation from a cubic I cell to its primitive P cell ?

[Wim Burmeister]

Hello, does anybody have a script which transforms the pdb file of a structure in I-centred I213 into a pdb file based on the corresponding primitive P1 unit cell ? A rotation matrix would also do  which uses the matrix of the transformation from one coordinate system to the other combined with the orthogonalisation convention for the P1 cell. Best Wim -- Wim Burmeister Professeur Institut de Biologie Structurale (IBS) CIBB 71 avenue des Martyrs CS 20192 38044 Grenoble Cedex 9, FRANCE E-mail: wim.burmeis...@ibs.fr Tel:    +33 (0) 457 42 87 41       Fax: +33 (0) 476 20 94 00 website map