Open main menu

Changes

Generating and Displaying an Electostatic Surface

6 bytes added, 00:52, 10 October 2009
m
no edit summary
===Generate PQR and PX Files for the Structure===
#Download or generate PDB file.
#Go to the PDB2PQR server at http://pdb2pqr-1.wustl.edu/pdb2pqr/. The default settings (AMBER forcefield, internal naming scheme), are ok. Check off the prepare APBS input filebutton.
#Save the pqr file and the APBS input file.
#Run APBS as '''apbs inputfile.in'''. This will generate a *.dx file.