NMRWish Built-In TCL Functions
dynSelect: Select atoms according to the specified conditions, such as by residue name, etc.
| Flag |
Argument |
Default |
Description |
-src |
pdbSrc |
|
Source of Structure. |
-append |
|
|
Append to previous selection. |
Dynamics Selection:
-fixed |
|
|
Set Selected Atoms as Fixed. |
-nofixed |
|
|
Set Selected Atoms as Fixed. |
Output and Result Options:
-verb |
|
|
Verbose Mode ON. |
-list |
|
|
Return Atom Entry List. |
-nolist |
|
|
Return Select Count (Default). |
-res |
resID |
|
Single Residue for Selection. |
-r1 |
res1 |
|
First Residue in Segment. |
-rN |
resN |
|
Last Residue in Segment. |
-e1 |
ae1 |
|
First Atom Entry in Segment. |
-eN |
aeN |
|
Last Atom Entry in Segment. |
-atomName |
aList |
|
Atom Name List (also -atom). |
-resName |
rList |
* |
Res Name List. |
-chain |
cList |
* |
Chain Name List. |
-seg |
sList |
* |
Seg Name List. |
-id |
sID |
|
Selection ID. |
-inv |
|
|
Invert Selection. |
Special Class Selection:
-protein |
|
|
Select Only Canonical Amino Acids. |
Selection Within Coord Sphere:
-near |
rad |
|
Selection Radius (Angstroms). |
-x |
x0 |
|
Center X Coord (Angstroms). |
-y |
y0 |
|
Center Y Coord (Angstroms). |
-z |
z0 |
|
Center Z Coord (Angstroms). |
Selection Within Coord Region (Also -y... -z...):
-x1 |
x1 |
|
Region X1 Limit (Angstroms). |
-xn |
xn |
|
Region XN Limit (Angstroms). |
Reset Selection. No Other Selection Performed:
-clear |
|
|
Clear Selection for All Atoms. |
-set |
|
|
Set Selection for All Atoms. |
Name Matching Modes:
-exact |
|
|
Match Names Exactly (Default). |
-regex |
|
|
Regular Expression Pattern Matching. |
-glob |
|
|
Glob-style Pattern Matching, and with # for numerals in atom names. |
PDB Input Options:
-hetatm |
|
|
Interpret HETATM records as ATOMs. |
Notes (New Version of dynSelect):
1. Use -append to retain previous selection.
2. Use -atom * to select all atom names.
2. Use -res * to select all residues.
|
Under Construction
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