MOLEKEL

  • 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.
  • strict warning: Declaration of views_handler_argument::init() should be compatible with views_handler::init(&$view, $options) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/handlers/views_handler_argument.inc on line 744.
  • strict warning: Declaration of views_plugin_row::options_validate() should be compatible with views_plugin::options_validate(&$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: 
5.4
评分: 
3

简介  
支持的分子结构计算程序输出文件格式有:GAUSSIAN,GAMESS-US,ADF,ZINDO,MOS,HONDO,PRDDO,NBO。

Molekel 5.1.1加入:
1. PostScript和PDF输出。
2. 支持Molden输入格式。
3. 加入Z-matrix格式,Chem3D直角坐标,CACAO直角坐标,Insight II,Dmol3,Hyperchem,Jaguar,MOPAC,MPQC,NWChem,PCModel,PQS,Amber,Q-Chem,Turbomole,Unichem,Viewmol,XYZ。