Scripts of the NMRPipe System
pdb2ac.tcl: Create DYNAMO atomic coord (AC) restraint table from PDB.
Flag |
Argument |
Default |
Description |
-in |
pdbName |
ref.pdb |
PDB Input for Coords. |
-ref |
seqName |
None |
PDB Input for Sequence (If Different). |
-r1 |
r1 |
First |
First Residue for Sequence PDB. |
-rN |
rN |
Last |
Last Residue for Sequence PDB. |
-a1 |
a1 |
r1 |
First Residue for Coord PDB. |
-id |
id |
1 |
First Index Number for Restraint Output. |
-seg |
segName |
PROT |
Segment Name for Restraint Output. |
-dLo |
dLo |
0.0 |
Lower Distance Bound. |
-dHi |
dHi |
0.0 |
Upper Distance Bound. |
-fc |
fc |
10.0 |
Restraint Force Constant. |
-atom |
aList |
C* ... |
Atom Name List. Default: C* N* O* S* P* F* |
-dx |
dx |
0.0 |
Additional X-Axis Offset. |
-dy |
dy |
0.0 |
Additional X-Axis Offset. |
-dz |
dz |
0.0 |
Additional X-Axis Offset. |
-hetatm |
|
|
Include HETATM entries from PDB Input. |
-nohetatm |
|
|
Ignore HETATM entries (Default). |
-center |
|
|
Center Coords of PDB Input. |
-nocenter |
|
|
No Centering of PDB Input (Default). |
-hdr |
|
|
Print Header in Output (Default). |
-nohdr |
|
|
No Header in Output. |
-na |
|
|
Interpret Sequence for DNA/RNA. Also -dna -rna |
-nona |
|
|
No Adjustment for DNA/RNA (Default). |
Coordinate Modes (Use Only One):
-fixed |
|
|
Fragment Coords are Fixed (Default). |
-nofixed |
|
|
Fragment Can Translate and Rotate. |
-rotfixed |
|
|
Fragment Can Translate Only. |
Multiple Fragment Mode (Zero for Single Fragment Mode):
-segLength |
sLength |
0 |
Segment Length of Fragments. |
-segStep |
sStep |
0 |
Offset Between Fragments. |
-equiv |
|
|
Include All Tensor-Equivalent Rotations. |
-excl |
resList |
None |
Starting Res IDs Not to Rotate. |
Notes:
Multiple Fragment Mode Uses '-nofixed' Coordinate Mode by Default.
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