Scripts of the NMRPipe System
fragSA.tcl: DYNAMO Simulated Annealing Refinment of MFR Fragments.
Flag |
Argument |
Default |
Description |
-gmc |
gmcDir |
frag.gmc |
GMC Input Directory. |
-in |
inName |
fragTmp.pdb |
PDB Input File for Fragment. |
-out |
outName |
frag.pdb |
PDB Output File of Refined Fragment. |
-r1 |
r1 |
First |
First Residue ID to Use from Input. |
-rN |
rN |
Last |
Last Residue ID to Use from Input |
-ac |
acName |
None |
Alternate AC Constraint File. |
-tor |
tName |
None |
Alternate Torsion Constraint File. |
-iseed |
iseed |
54321 |
Random Number Seed. |
-rem |
rem |
|
Remark Text to Add to Output PDB. |
|
|