KryoMol 0.6.7

Armando Navarro Vazquez armando.navarro at uvigo.es
Wed Aug 26 14:13:38 CEST 2009


Name: KryoMol
Version: 0.6.7
Type: KDE Scientific
Depend: KDE 3.2.x
License: GPL
Homepage:
http://galileo.usc.es/~armando/software/kryomol
More Info:
http://www.kde-apps.org/content/show.php?content=36260

Description:
 KryoMol is a KParts based program for analysis
and visualization of chemical data. Currently it
can read many quantum chemical formats
(Gaussian03, NwChem, CFOUR, COMD...) and 3D
structures (mol,xyz...).  Experimentally it can
display also 1D NMR and JCAMP-DX spectra.

Changelog:
 0.6.7
-Added CFOUR support
-LineWidth is now properly initialized in IR
representation
-Solved a bug in ACESII/CFOUR normal mode
parsering when dummyatoms are present
-Cell representation for CPMD jobs





JOB RECOMMENDATION:
------
Trainee Software Entwicklung openDesktop.org - h i
v e 01 gmbh - trainee
 http://www.KDE-Apps.org/jobs/?id=370
------
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softSCIENCE GmbH - vollzeit
 http://www.KDE-Apps.org/jobs/?id=61

more jobs: http://www.KDE-Apps.org/jobs/




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