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== [[:Category:Biochemical_Scripts|Biochemical Scripts]] == | == [[:Category:Biochemical_Scripts|Biochemical Scripts]] == |
Revision as of 07:47, 30 April 2009
The PyMOLWiki script library houses many useful scripts. Here you will find premade scripts that will extend the power of PyMOL.
The scripts are now categorized based on their function. Someone may have added a script but not listed it on this page, therefore please see the autogenerated list of scripts at the bottom of this page.
Please post any script requests to this page's discussion page. Who knows, someone might have already written it or would be willing to write it.
Depositing Scripts
Please create a new page for your script. Once you've done that, please add it to the Script_Library Category and any subcategories appropriate for the script. For example, if you have a script that performs some geometrical action upon various objects or selections you can then add the subcategories of ObjectsAndSelections_SL and also MathGeometry_SL. The convention (which might change is CategoryName_SL (where indicates a subcategory of the ScriptLibrary).
Categorized Descriptions
User Interface
- ObjectByArrows
- PowerMate Dial OS X
- Mouse modes
- Key Wait
- Grepset
- Apropos
- Stereo ray
- PDB Web Services Script
- Stereo Figures
- Movit
- Spectrumbar
- Save2traj
- VisLoad
- Aa codes
- Set toggle
- Movie fade
- Save settings
- Dynamic mesh
- ObjectFocus
- Make Figures
- Inertia tensor
- ImmersiveViz
- RUCAP UM-5
- Format bonds
- Get colors
- Movie color fade
- Quickdisplays
- Distancetoatom
- Pytms
- Frame slider
Objects and Selections
- ConnectedCloud
- Zero residues
- List Selection
- List Colors
- List Secondary Structures
- Selection Exists
- Color Objects
- Get Coordinates I
- Get Coordinates II
- Grepsel
- Findseq
- ToGroup
- Save sep
- FindSurfaceResidues
- AlphaToAll
- Expand To Surface
- Removealt
- GetNamesInSel
- FindObjectsNearby
- CollapseSel
- SelInside
- Split selection
- Split Object Along Axis
- Split Movement
- SaveGroup
- SelectClipped
- Rotkit
- Get raw distances
- Find buried waters
- Count molecules in selection
- DistancesRH
- Cluster Count
- ListSelection2
- Pairwise distances
- ShowLigandWaters
- Flatten obj
- Annotate v
- Color cbcobj
- FindSurfaceCharge
System (OS/Filesystem/Web/etc)
- FilterByMol
- LoadDir
- Process All Files In Directory
- PythonTerminal
- Pdbsurvey
- Read PDB-String
- Pml2py
- Tiff2ccp4
- Monitor file continuously
- XML-RPC server
- FetchLocal
- Find symbol
Structural Biology
- FilterByMol
- LoadDir
- Process All Files In Directory
- PythonTerminal
- Pdbsurvey
- Read PDB-String
- Pml2py
- Tiff2ccp4
- Monitor file continuously
- XML-RPC server
- FetchLocal
- Find symbol
Third Party
- Rasmolify
- Wfmesh
- Transform odb
- PovRay
- Ccp4 ncont
- Ccp4 contact
- Ccp4 pisa
- Tiff2ccp4
- Pymol2glmol
- Save Mopac
- PoseView
- RUCAP UM-5
Biochemical Scripts
- Show aromatics
- Show hydrophobics
- Show charged
- Show hydrophilic
- Pucker
- Resicolor
- CreateAtom
- Color h
- FindSurfaceResidues
- Average b
- AAindex
- Polarpairs
- Propka
- Forster distance calculator
- Cyspka
- DistancesRH
- ListSelection2
- Pairwise distances
- ShowLigandWaters
- Quickdisplays
- Distancetoatom
- Load new B-factors
- Pytms
- Show contacts
- Color cbcobj
- FindSurfaceCharge
- 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)
- 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)
- 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)
- 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)
- pucker -- Calculates the sugar pucker information for a given selection
- resicolor -- Colors proteins according to residue type.
- createAtom -- Make an atom at a distance along the line of a bond.
Math/Geometry/CGO
- Perp maker
- Symmetry Axis
- CGO Text
- Plane Wizard
- Bounding Box
- Ellipsoid
- TransformSelectionByCameraView
- Modevectors
- Center of mass
- DrawBoundingBox
- Slerpy
- CgoCircle
- SuperSym
- Supercell
- BiologicalUnit
- BbPlane
- BiologicalUnit/Quat
- Radius of gyration
- Cart to frac
- Mark center
- Dump2CGO
- Axes
- Contact Surface
- Cgo arrow
- Cubes
- Distancetoatom
- Cgo grid
- RotationAxis
- Draw Protein Dimensions
- 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/Tree)
- Axes -- Creates a 3D-CGO object that shows the three coordinate axes.
- Symmetry Axis -- Draw a 3D-CGO line given a point and a direction.
- CGO Text -- Creates a 3D-CGO text object.
- Slerpy -- Pymol command extensions for key frame animation movie making.
- Plane Wizard -- Wizard to draw planes between three picked points.
- Bounding Box -- Create a bounding box around a selection (Python script; requires numarray and Scientific; gilleain)
- Ellipsoid -- Create callback object (opengl) ellipsoids. (Python script; gilleain)
- TransformSelectionByCameraView -- Transforms the selection by the camera view.
- modevectors -- A wonderful script that allows you to draw highly customizable vectors between two states (NMA, TMD, etc)
- Center Of Mass -- Given a selection of atoms (of equal weight) - Calculates the center of mass and represents it with a CGO sphere
Subcategories
This category has the following 7 subcategories, out of 7 total.
Pages in category "Script Library"
The following 197 pages are in this category, out of 197 total.
C
- CalcArea
- Cart to frac
- Ccp4 contact
- Ccp4 ncont
- Ccp4 pisa
- Cealign plugin
- Center of mass
- Centroid
- Cgo arrow
- Cgo grid
- CGO Text
- CgoCircle
- Check Key
- Cluster Count
- CMPyMOL
- CollapseSel
- Color by conservation
- Color By Mutations
- Color cbcobj
- Color h
- Color Objects
- Colorblindfriendly
- Colorbydisplacement
- ColorByRMSD
- ConnectedCloud
- Consistent View/ Map Inspect
- Contact Surface
- Count molecules in selection
- CreateAtom
- CreateSecondaryStructure
- Cubes
- Cyspka
D
F
J
L
M
P
R
S
- Save Mopac
- Save pdb with anisou
- Save sep
- Save settings
- Save2traj
- SaveGroup
- Ss
- Select sites
- SelectClipped
- Selection Exists
- SelInside
- Set toggle
- Show aromatics
- Show bumps
- Show charged
- Show contacts
- Show hydrophilic
- Show hydrophobics
- Nmr cnstr
- ShowLigandWaters
- Sidechaincenters
- Slerpy
- Spectrum states
- Spectrumany
- Spectrumbar
- Split chains
- Split Movement
- Split Object Along Axis
- Split object
- Split selection
- Sst
- Stereo ray
- Stereo Figures
- Supercell
- SuperSym
- Symmetry Axis