Re: [ccp4bb] non ccp4 question

2008-10-04 Thread Juergen Bosch
Hi Jonathan, try using the PRODRG Server with your coordinates, or alternatively run Refmac reading in the cif file for your ligand. Jürgen On 3 Oct 2008, at 14:25, Jonathan Marvin Caruthers wrote: Sorry, but I've nowhere else to turn, I hope nobody minds. In trying to model a nonyl gluc

[ccp4bb] non ccp4 question

2008-10-03 Thread Jonathan Marvin Caruthers
Sorry, but I've nowhere else to turn, I hope nobody minds. In trying to model a nonyl glucoside ligand into my model, I get the following errors when trying to run the refine.inp script: %NBUPDA-ERR: missing nonbonded Lennard-Jones parameters %%% ATOM: SEGId="", RESId="2077", NAME=