Category:Script Library: Difference between revisions

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* [[Process_All_Files_In_Directory]] -- Do something to all files in a directory. The examples show how to print the disulfide bond lengths, then in general all sulfur distances (not necessarily bound).
{| style="text-align: left; background: #D9CEB2; color: #7A6A53; border: 2px solid #D5DED9; padding: 3em;" align="center"
 
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* [[Kabsch]] -- Kabsch alignment of two sets of vectors. (Part 2 of a protein alignment.)
! style="padding-top: 1em; padding-bottom: 2.5em; font-size: 1.25em; text-align: center;" |
 
! style="padding-top: 1em; padding-bottom: 2.5em; font-size: 2.5em; text-align: center;" |  PyMOL Script Library
* [[Transform_odb]] -- Transform a selection of an existing object and output as a new object. The transformation matrix is read from an "O"-style tranformation matrix file (.odb) written by "O" or by any of the Uppsala Software Factory programs (from Gerard Klegweit) such as LSQMAN.
! style="padding-top: 1em; padding-bottom: 2.5em; font-size: 1.25em; text-align: center;" |
 
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* [[Stereo_Ray]] -- This script will create two resolution specific ray traced images rotated appropriately for inclusion into a single file to represent a stereo view of the desired macromolecule.
! style="padding-bottom: 4em; font-size: 1.25em; text-align: center;" |  [[Running_Scripts|Running Scripts]]
 
! style="padding-bottom: 4em; font-size: 1.25em; text-align: center;"| [[Category_talk:Script_Library#Requests|Script Requests]]  
* [[Translate_And_Measure]] -- prints '''overlap''' if any of the atoms in molA or molB were within 4 Angstrom after translating by 1 along X
! style="padding-bottom: 4em; font-size: 1.25em; text-align: center;"| [[Category_talk:Script_Library#Policy|Policy]]
 
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* [[Show aromatics]] -- This script will display a backbone "worm" for your protein, with all of the sidechains for aromatic residues displayed as green "sticks". Usage: Save this as "show_aromatics.pml", load your protein in PyMOL, and run the script (select "Run" from the "File" menu). (PyMOL script; TStout)
! style="font-size: 1.25em; " | [[:Category:Structural_Biology_Scripts|Structural Biology]]
 
! style="font-size: 1.25em; " | [[:Category:ObjSel_Scripts|Objects and Selections]]  
* [[Show hydrophobics]] -- This script will display a backbone "worm" for your protein, with all of the sidechains for hydrophobic residues displayed as orange "sticks".  Usage: Same as "show aromatics". (PyMOL script; TStout)
! style="font-size: 1.25em; " | [[:Category:Math_Scripts|Math/Geometry/CGO]]
 
|- valign=top
* [[Show charged]] -- This script will display a backbone "worm" for your protein, with all of the sidechains for charged residues displayed as red (negative) or blue (posititve) "sticks".  Usage: Same as "show aromatics". (PyMOL script; TStout)
|<DPL>
 
category=Structural_Biology_Scripts
* [[Show hydrophilic]] -- This script will display a backbone "worm" for your protein, with all of the sidechains for hydrophilic residues displayed as green "sticks".  Usage: Same as "show aromatics". (PyMOL script; TStout)
redirects=include
 
mode=unordered
* [[Show NMR constrains]] -- This script will display the NMR constrains used for a structure calculation atop a structure.  Usage: Save this as "NMRcnstr.py" load your protein in PyMOL, and run the script. type upl('fname') or cns('fname') where fname is the filename with the NMR constrains you want to display.
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
 
</DPL>
* [[Perp Maker]] -- Creates a perpendicular plane through the center of your protein with respect to the camera's current position.  (If you translate the protein towards the camera a bit, you get a nice surface, sometimes.) A stupid little script I wrote in response to a request a few months ago (and it doesn't even conform to the request!)  Load a protein, run the script (read the documentation in the script). (Jason Vertrees/[[User:Tree|Tree]])
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<DPL>
* [[PythonTerminal]] -- Allows execution of python commands from the PyMOL command line.
category=ObjSel_Scripts
 
redirects=include
* [[Axes]] -- Creates a 3D-CGO object that shows the three coordinate axes.
mode=unordered
 
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
* [[CGO Text]] -- Creates a 3D-CGO text object.
</DPL>
 
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* [[List Selection]] -- Prints a list of all residues in a selection (both Python and .pml).
<DPL>
 
category=Math_Scripts
* [[List Colors]] -- Lists the color of all residues in a selection (both Python and .pml).
redirects=include
 
mode=unordered
* [[List Secondary Structures]] -- Secondary structures (both predefined and those calculated with the 'dss' command) can be exported as a long string ('HHHHLLLLSSS').
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
 
</DPL>
* [[Split Movement]] -- Moves two parts of one object into different directions.
|-
 
! style="font-size: 1.25em; padding-top: 3.5em; width:33%;" | [[:Category:UI_Scripts|User Interface]]
* [[Selection Exists]] -- Python method that returns true if a selection of a given name exists.
! style="font-size: 1.25em; padding-top: 3.5em; width:33%;" | [[:Category:Biochemical_Scripts|Biochemical Scripts]]
 
! style="font-size: 1.25em; padding-top: 3.5em; width:33%;" | [[:Category:System_Scripts|System Scripts]]
* [[Get Coordinates I]] -- Retrieves atom coordinates as Python objects.
|- valign=top
 
|<DPL>
* [[Get Coordinates II]] -- Retrieves atom coordinates as Python array (list object).
category=UI_Scripts
 
redirects=include
* [[grepset]] -- List all settings matching a given keyword. - ''by EHP''
mode=unordered
 
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
* [[apropos]] -- List all commands matching a given keyword or whose docs contain the keyword. - ''by EHP''
</DPL>
 
||
* [[mouse_modes]] -- customize the default mouse bindings for Viewing or Editing modes. - ''by EHP''
<DPL>
 
category=Biochemical_Scripts
* [[Measure Distance]] -- Measures the distance between two atoms (Python script).
redirects=include
 
mode=unordered
* [[Read PDB-String]] -- Parses a string in PDB format to a PyMOL object.
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
 
</DPL>
* [[Color Objects]] -- Colors all objects differently (Python script).
||
 
<DPL>
* [[Key Wait]] -- Process key events in a Python script.
category=System_Scripts
 
redirects=include
* [[Bounding Box]] -- Create a bounding box around a selection (Python script; requires numarray and Scientific; gilleain)
mode=unordered
 
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
* [[Ellipsoid]] -- Create callback object (opengl) ellipsoids. (Python script; gilleain)
</DPL>
 
|-
* [[pdbsurvey]] -- Surveys the pdb for recently added structures that are relevant to a user-specified keywords list (in a text file)
! style="font-size: 1.25em; padding-top: 3.5em; width:33%" | [[:Category:ThirdParty_Scripts|Third Party]]
 
! style="font-size: 1.25em; padding-top: 3.5em; width:33%;" |
* [[TransformSelectionByCameraView]] -- Transforms the selection by the camera view.
! style="font-size: 1.25em; padding-top: 3.5em; width:33%;" |
 
|- valign=top
* [[WFMesh]] -- Imports wavefront object mesh files; Starwars as an example!
|<DPL>
 
category=ThirdParty_Scripts
* [[grepsel]] -- Make named selections using regular expressions (protein sequence).
redirects=include
 
mode=unordered
* [[PowerMate Dial OS X]] -- Script and instructions to use the PowerMate dial on Mac OS X.
format = <ul type="disc">,<li>[[%PAGE%]],</li>,</ul>
</DPL>
|}


[[Category:Scripting|Script Library]]
[[Category:Scripting|Script Library]]

Latest revision as of 11:07, 14 December 2011

PyMOL Script Library
Running Scripts Script Requests Policy
Structural Biology Objects and Selections Math/Geometry/CGO
User Interface Biochemical Scripts System Scripts
Third Party

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