Hi all, I am trying to fit a ligand into density using ARP/wARP 7.0.1 in CCP4 suite 6.0.2 on CCP4interface 1.4.4.2.
I get an error message telling me to look for the error in a "##_warp_ligand_details.log". _____________________________________________________________ Running Refmac5 to refine the protein PDB without the search ligand. After refmac, R = 0.177 (Rfree = 0.000) The difference electron density map has been calculated. Segmentation fault QUITTING ... ARP/wARP module stopped with an error message: MAPREAD_MODE_GRIDMAKER *** Look for error message in the file: 29_warp_ligand_details.log #CCP4I TERMINATION STATUS 0 All done #CCP4I TERMINATION TIME 16 Mar 2009 14:43:30 #CCP4I MESSAGE Task failed *************************************************************************** * Information from CCP4Interface script *************************************************************************** Error during script execution. *************************************************************************** When I look at the details file, all I see at the end is (no error message): ########## COORDINATE READING ############################## Reading apo protein ... done. Identifying N and O atoms for h-bond investigations ... done. Reading clean search ligand(s) ... (PDBfmt) done _______________________________________________________ The details file ends thus, regardless of whether I read in a library file for the ligand or not, the library is one generated from ProDRG or from refmac. Funnily enough, the program ends the same way even using input files that I had used previously, with a previous version of ARP/wARP; input files that worked before. Help, please!!!!! Thanks a ton! Sangeetha.
