Dear CCP4 users, I am trying to get library description for a ligand having a pentacoordinated phosphate in it (for modeling a transition state) but unable to do so as Sketcher in CCP4 programms fails with an error message of
ERROR: nt = 4 for 10 ERRROR: in subroutine CMP_CRD_M ERRROR: in subroutine CALC_POLCRD ERRROR: in subroutine CREATE_BLCRD and the PRODRUG server fails with an error message Error in GROMOS atom names/types. In Prodrug server, this mainly seems due to the fact that it cant handle more than 4 connections/atom. I dont know about sketcher. Can anybody advice how to do get library for such a ligand? Thanks in advance for any suggestion. With regards, Pravin Kumar.
