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Encyclopedia > PyMOL
PyMOL

A PyMOL instance, with the Viewer and GUI visible.
Developer: DeLano Scientific LLC
Latest release: 1.0rev1 / July 31, 2007
OS: many
Genre: Molecular modelling
License: open-source, user-sponsored
Website: pymol.sf.net

PyMOL is an open-source, user-sponsored, molecular visualization system created by Warren Lyford DeLano and commercialized by DeLano Scientific LLC, which is a private software company dedicated to creating useful tools that become universally accessible to scientific and educational communities. It is well suited to producing high quality 3D images of small molecules and biological macromolecules such as proteins. According to the author, almost a quarter of all published images of 3D protein structures in the scientific literature were made using PyMOL. Image File history File links Download high-resolution version (1242x1007, 196 KB) File links The following pages on the English Wikipedia link to this file (pages on other projects are not listed): PyMOL ... “Software development” redirects here. ... Code complete redirects here. ... is the 212th day of the year (213th in leap years) in the Gregorian calendar. ... Year 2007 (MMVII) is the current year, a common year starting on Monday of the Gregorian calendar and the AD/CE era in the 21st century. ... An operating system (OS) is the software that manages the sharing of the resources of a computer and provides programmers with an interface used to access those resources. ... Computer software can be organized into categories based on common function, type, or field of use. ... The backbone dihedral angles are included in the molecular model of a protein. ... A software license is a legal agreement which may take the form of a proprietary or gratuitous license as well as a memorandum of contract between a producer and a user of computer software. ... For other uses, see Open source (disambiguation). ... A website (alternatively, Web site or web site) is a collection of Web pages, images, videos or other digital assets that is hosted on one or several Web server(s), usually accessible via the Internet, cell phone or a LAN. A Web page is a document, typically written in HTML... Summary Warren Lyford DeLano is an outspoken advocate for the increased adoption of open source practices in the sciences, and especially drug discovery, where saving time and money directly translates into saving of lives. ... 3D (left and center) and 2D (right) representations of the terpenoid molecule atisane. ... Illustration of a polypeptide macromolecule The term macromolecule by definition implies large molecule. In the context of biochemistry, the term may be applied to the four conventional biopolymers (nucleotides, proteins, carbohydrates, and lipids), as well as non-polymeric molecules with large molecular mass such as macrocycles. ... A representation of the 3D structure of myoglobin, showing coloured alpha helices. ...


PyMOL is one of few open source visualization tools available for use in structural biology. The Py portion of the software's name refers to the fact that it extends, and is extensible by, the Python programming language. Open source refers to projects that are open to the public and which draw on other projects that are freely available to the general public. ... Structural biology is a branch of molecular biology concerned with the study of the architecture and shape of biological macromolecules--proteins and nucleic acids in particular—and what causes them to have the structures they have. ... Computer software (or simply software) refers to one or more computer programs and data held in the storage of a computer for some purpose. ... Python is a high-level programming language first released by Guido van Rossum in 1991. ...


Non-free binaries

On August 1, 2006, DeLano Scientific adopted a controlled-access download system for precompiled PyMOL builds (including betas) distributed by the company. Access to these executables is now limited to paying customers only. However, current source code continues to be available at no cost as are older precompiled builds. While the build systems for other platforms are open, the win32 build system is not. This means that the only way windows users can obtain newer versions of PyMOL is to become paying customers. is the 213th day of the year (214th in leap years) in the Gregorian calendar. ... Year 2006 (MMVI) was a common year starting on Sunday of the Gregorian calendar. ...


See also

Free software Portal

Image File history File links Free_Software_Portal_Logo. ... Screenshot of VMD 1. ... Gabedit is a Graphical User Interface to GAMESS (US) , GAUSSIAN, MOLCAS, MOLPRO ,MPQC and Q-Chem computational chemistry packages. ... Molden is a general molecular and electronic structure processing program. ... Molekel is a free software multiplatform molecular visualization program. ... The backbone dihedral angles are included in the molecular model of a protein. ... Jmol is molecule viewer for use in chemistry and biochemistry. ... RasMol is a computer program written for molecular graphics visualization intended and used primarily for the depiction and exploration of biological macromolecule structures, such as those found in the Protein Data Bank. ... WHAT IF is a computer program used in a wide variety of in silico macromolecular structure research fields such as: Homology models of protein tertiary structures as well as quaternary structures, Validation of protein structures, noticeably those deposited in the PDB Correction of protein structures Visualisation of macromolecules and their... There are very few or no other articles that link to this one. ...

External links


  Results from FactBites:
 
PyMOL scripts (1257 words)
PyMOL tools to create the drawing commands to show the symmetry axes for a crystal, to draw a fancier unit cell and an attempt at drawing reciprocal space in 3D.
Calculate the RMSD and fit one selection onto another within PyMOL without regard to matching residue names, etc. This script temporarily changes the selections to be fit into glycines and sets the residue names and chain identifiers to match so that the fit command can be used on non-identical sequences.
Draw the Ewald sphere at the beginning and end of a data collection pass, as well as the limiting sphere and the reflections divided into categories (within the limiting sphere, outside the limiting sphere, collected, not collected and lastly part of one asymmetric unit).
Introduction to Molecular Visualization with PyMOL (2720 words)
For use in a report or a presentation, PyMOL offers a ray-tracing feature to draw an image with a light source and shadows and other optical effects that provide an illusion that a physical, 3D model is held in the display.
PyMOL is an powerful program that is increasingly being used for very advanced molecular graphics applications in research laboratories and in the pharmaceutical industry.
Don't worry about learning all about PyMOL at this point; what we have shown here is enough to do all of the things we need you to be able to do.
  More results at FactBites »


 

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