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Frank
Delaglio, Ph.D.
Software Science Consultant
13840 Grey Colt Drive
North Potomac MD 20878 USA
Tel: 301 806-0867
Fax: 301 309-8717
E-mail: delaglio@nmrscience.com
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NMRWish Built-In TCL Functions
dynRead: Read a table or molecular structure for the DYNAMO structure manipulation environment.
| Flag |
Argument |
Default |
Description |
-in |
inName |
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Input Name or List. |
-prefix |
str |
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Verbose Mode Prefix Text. |
-dyn |
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Add Dynamics Info (PDB Only). |
-verb |
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Verbose Mode ON. |
Input Format Types:
-pdb |
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PDB Format (Default). |
-gmc |
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GMC Format. |
-gdb |
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GDB Database Format. |
-dc |
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Dipolar Couplings. |
-dcList |
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Dipolar Coupling Table List. |
-cs |
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Chemical Shifts. |
-pcs |
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Pseudo-Contact Shifts. |
-j |
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J-Couplings. |
-dist |
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Generic Distances. |
-noe |
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NOE Distances. |
-ds |
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Pairwise Symmetry Distances. |
-ac |
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Atom Coord Constraints. |
-atom |
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Atom Parameters. |
-bond |
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Atomic Bonds. |
-vdwex |
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VDW Exclusions. |
-vdwexSeg |
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Exclude Inter-Segment VDW Terms. |
-hbond |
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Hydrogen Bonds. |
-radGyr |
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Radius of Gyration. |
-angle |
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Angles. |
-torsion |
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Torsion Angles. |
-improper |
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Torsion Angles. |
-dt |
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DELPHIC Torsion restraints. |
-dtg |
delTorSrc |
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DELPHIC Torsion Gaussians. |
-auto |
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Auto Mode. |
-null |
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Null Argument. |
Special Chemical Shift Options:
-csWList |
wList |
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AtomName/Weight Pairs. |
-csSrc |
csSrc |
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Known Chemical Shifts of PDB. |
Special Dipolar Coupling (DC) Options:
-keepDI |
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Keep Existing Dipolar Interation (DI) Values. |
-nokeepDI |
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Replace Existing DI Values (Default). |
-daScale |
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Scale Forces of Multiple Tensors (Default). |
-nodaScale |
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No Scaling of Forces. |
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last updated: Apr 20, 2011 / big frank
Contact site designer mimi at
mdelaglio@hotmail.com
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