====== Cheat Sheet ====== * http://medschool.lsuhsc.edu/biochemistry/docs/PyMOL-QuickRef-0905.pdf ====== Cook Book ====== ===== Startup file of pymol on windows ===== On Windows, use 'pymolrc', 'pymolrc.py' or 'pymolrc.pym'. For global defaults (all users), you can place a .pymolrc file in C:\Program Files\DeLano Scientific\PyMOL (or C:\Program Files\PyMOL\PyMOL). You can launch PyMOL from the applications menu or from the icon on your desktop (if you placed one there). ===== Change coordinates by mouse ===== * Click "Mouse Mode" until you see "3-Button Editing", and then use mouse following the instruction [[https://stackoverflow.com/questions/19958043/change-dihedral-angles-using-the-mouse-in-pymol | Ref]] * Shift + left click to rotate * Shift + middle click to translate * Ctrl + right click on a bond to show dihedral angle * Ctrl + left click and drag to change dihedral angle ===== Electrostatic surface ===== * [[http://www.poissonboltzmann.org/apbs/examples/visualization/apbs-electrostatics-in-pymol#TOC-Performing-the-electrostatics-calcu | Using APBS]] * [[http://kpwu.wordpress.com/2011/04/12/pymol-electrostaic-surface-view/ | Using Delphi]] ===== Change number of threads ===== * http://biology.stackexchange.com/questions/2088/turn-off-multithreading-in-pymol ===== RNA/DNA representation ===== * http://kpwu.wordpress.com/2012/05/24/pymol-different-colors-of-nucleic-acid-rings/ * http://kpwu.wordpress.com/2011/07/26/pymol-example-of-dna/ * http://kpwu.wordpress.com/2011/07/28/pymol-dna-example-ii/ * http://www.pymolwiki.org/index.php/Examples_of_nucleic_acid_cartoons * Example: set orthoscopic, on bg_color white set cartoon_ring_mode, 1 set cartoon_ring_transparency, 0.3 set cartoon_ring_color, green color green viewport 480, 480 ray ===== Make a movie ===== * http://pelican.rsvs.ulaval.ca/mediawiki/index.php/PyMOL_tips_and_tricks * Make a animation for rotating a molecule cmd.movie.add_roll(2.0, axis='y', start=1) set ray_trace_frames, 1 mpng snapshot/mov # after that you can convert the snapshots into animation under Linux by # convert -delay 20 snapshot/*.png out.gif ====== Installation ====== ===== From compiled package ===== * Unpack it and run ./setup.sh * copy the created "pymol" to /home/usr/bin ===== From source ===== * http://blog.163.com/cmh_lj/blog/static/10081230420117431119912/ ====== Tutorial ====== * http://pymol.sourceforge.net/newman/user/S0220commands.html * https://pymolwiki.org/index.php/Selection_Algebra * [[http://www.pymolwiki.org | pymol wiki]] * [[http://pymol.sourceforge.net/newman/user/toc.html | obsolete]] * http://www.ucl.ac.uk/~rmhasek/pymol.html * http://www.chem.umass.edu/~jhardy/BMS2006Files/pymol%20morphing/ * http://www.csb.yale.edu/userguides/graphics/pymol/electro.html * http://www-cryst.bioc.cam.ac.uk/members/zbyszek/figures_pymol#move * http://www.pymolwiki.org/index.php/Displaying_Biochemical_Properties#Polar_surface_area * http://pymol.sourceforge.net/newman/user/S0220commands.html