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.
