MSROLL calculates the PQMS surface of a protein molecule by describing the molecule with solid geometric forms. The PQMS surface file may used by MSDraw to create complicated solid surface images. However, the program also uses the PQMS surface file computed earlier and subdivides each curved face into several flat triangles for display on a three-dimensional interactive graphics display system. This gives a polyhedral surface for a protein molecule as shown below:
These results were obtained for 4pti by the following commands:
1. Get the PDB file
getentry 4pti
2. Extract the ATOM records:
extract pdb4pti.ent
3. Type the following command:
msroll -m pdb4pti.cln -f 0.5 -t prot.vet -o prot.iv
(the prot.vet file may also be using for MSDraw and MSForm,
and the prot.iv is an optional output here.)
3. View the arcs.iv image with the following command:
ivview prot.iv
Last CSB Revision: Friday, 07-Feb-1997 16:43:11 EST