KryoMol

  • strict warning: Non-static method view::load() should not be called statically in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/views.module on line 906.
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  • strict warning: Declaration of views_plugin_row::options_validate() should be compatible with views_plugin::options_validate(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
  • strict warning: Declaration of views_plugin_row::options_submit() should be compatible with views_plugin::options_submit(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
最新版本: 
0.66
评分: 
3

简介  
KryoMol是基于KDE的程序,用于显示和分析多种与化学有关的文件。

功能  
目前KryoMol可以处理:
1. 量子化学计算结果,包括:Gaussian 98/03,GAMESS,ACESII(MAB),和NWChem;
2. 分子力学计算结果:Tinker,Macromodel;
3. 其它格式:xyz或mol;
4. 1D NMR谱和JCAMP-DX谱。