Generating and Displaying an Electostatic Surface: Difference between revisions
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Created page with '==Programs Required== *Pymol *APBS ===Generate PQR File for the Structure=== #Download or generate PDB file. #Go to the PDB2PQR server at http://pdb2pqr-1.wustl.edu/pdb2pqr/. T...' |
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===Generate PQR File for the Structure=== | ===Generate PQR File for the Structure=== | ||
#Download or generate PDB file. | #Download or generate PDB file. | ||
#Go to the PDB2PQR server at http://pdb2pqr-1.wustl.edu/pdb2pqr/. | #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 file | ||
#Save the pqr file. | #Save the pqr file and the APBS input file. | ||
Revision as of 00:38, 10 October 2009
Programs Required
- Pymol
- APBS
Generate PQR File 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 file
- Save the pqr file and the APBS input file.