Atoms Molecules Ions

Rsync::Config is a Perl module for rsync configuration generator. Rsync::Config is a module who can be used to create rsync configuration files. A configuration file (from Rsync::Config point of view) is made by atoms and modules with atoms. A atom is the smallest piece from the configuration...

cclib is a Python library for parsing and interpreting the results of computational chemistry packages. Among other data, cclib extracts coordinates, atomic orbital information, molecular orbital information, information on vibrational modes, and the results of a TD-DFT calculation. cclib...

Mail::IMAPTalk is an IMAP client interface with lots of features. SYNOPSIS use Mail::IMAPTalk; $IMAP = Mail::IMAPTalk->new( Server => $IMAPServer, Username => foo, Password => bar, Uid => 1 ) || die "Failed to connect/login to IMAP server"; # Append message to folder open(my $F,...


Platforms: *nix

LAMMPS project is a Molecular Dynamics Simulator. LAMMPS has potentials for soft materials (biomolecules, polymers) and solid-state materials (metals, semiconductors) and coarse-grain systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the mesoscale...


Platforms: *nix

ConverTable Planets is designed to answer that age-old question, "if a widget weighs 34 stones on Earth, just how many troy ounces would that widget weigh on Mars?" In doing so, ConverTable Planets could be used to teach about unit conversions and gravity.


Platforms: Mac

ConverTable Planets is designed to answer that age-old question, "if a widget weighs 34 stones on Earth, just how many troy ounces would that widget weigh on Mars?" In doing so, ConverTable Planets could be used to teach about unit conversions and gravity. ConverTable Planets can also compare the...


Platforms: Mac

vID Infiltr8 is an opensourced metadata tagger for MPEG-4 files. The opensourced command line program AtomicParsley is wrapped in a familiar GUI to set persistent metadata into files. Multiple pieces of artwork & a subset of video-related tags are supported. Batch editing is fully supported and...


Platforms: Mac

FieldLines is a screen saver that simulates the electric field lines emitted by charged particles. In this screen saver, ions move around the screen and bind to the lines of other ions as they get close and unbind as they move away. As the original author has said, physics never looked so good....


Platforms: Mac

MRMer reads an mzXML file and infers precursor-ion/product-ion relationships. It displays elution curves of the product ions and allows the user to select or deselect them as candidates for MRM-based assays. MRMer also displays the elution curve of the precursor ions when MS1 scans are present...


Platforms: Windows

PyMOL is a user-sponsored molecular visualization system on an open-source foundation. Please support development of this open, effective, and affordable software by purchasing an incentive copy, which is pre-built and comes with maintenance and support. PyMOL can interpret over 30 different...


Platforms: Windows, Mac, Linux

The Ascalaph Quantum package provides interfaces to ab initio quantum mechanical packages NWChem, CP2K and PC GAMESS / Firefly. Quantum calculations are performed using the PC GAMESS program. FEATURES: Energy calculations : · Energy calculation mode is controlled by selecting the basis...


Platforms: Windows

APBSmem is a handy, Java-based graphical user interface specially designed to help you with Poisson-Boltzmann electrostatics calculations at the membrane. The Poisson-Boltzmann equation or PB describes the electrostatic environment of a solute in a solvent containing ions.


Platforms: Windows

A screen saver that simulates the electric field lines emitted by charged particles. In this screen saver, ions move around the screen and bind to the lines of other ions as they get close and unbind as they move away. As the original author has said, physics never looked so good. - Fixed a...


Platforms: Mac

Although a large number of tools for the three-dimensional visualization of molecular structures exists, it often proved convenient to tailor a visualization tool specifically for a certain purpose. In BALL, we chose two complementary approaches. First, we wanted to give the user the full...


Platforms: Mac

What is GNU Prolog GNU Prolog is a free Prolog compiler with constraint solving over finite domains developed by Daniel Diaz. GNU Prolog accepts Prolog+constraint programs and produces native binaries (like gcc does from a C source). The obtained executable is then stand-alone. The size of...


Platforms: Linux

What is GNU Prolog GNU Prolog is a free Prolog compiler with constraint solving over finite domains developed by Daniel Diaz. GNU Prolog accepts Prolog+constraint programs and produces native binaries (like gcc does from a C source). The obtained executable is then stand-alone. The size of...


Platforms: Windows

What is GNU Prolog GNU Prolog is a free Prolog compiler with constraint solving over finite domains developed by Daniel Diaz. GNU Prolog accepts Prolog+constraint programs and produces native binaries (like gcc does from a C source). The obtained executable is then stand-alone. The size of...


Platforms: Mac

What is GNU Prolog GNU Prolog is a free Prolog compiler with constraint solving over finite domains developed by Daniel Diaz. GNU Prolog accepts Prolog+constraint programs and produces native binaries (like gcc does from a C source). The obtained executable is then stand-alone. The size of...


Platforms: Windows

Absolutely new and addictive mine-seeker game! Try to find the dangerous atoms hidden under the squares forming the board. This task will not be too difficult if you use the lightening method - the beams of light will scan the board and point to where these atoms can be hidden. Make your choice...


Platforms: Windows

Kriya yoga is a simple, psychophysiological method by which human blood is decarbonated and recharged with oxygen. The atoms of this extra oxygen are transmuted into life current to rejuvenate the brain and spinal centers. By stopping the accumulation of venous blood, the yogi is able to lessen...


Platforms: Windows