C2MOLCAS is a graphical user interface (GUI) program for MOLCAS . It simplifies preparing input data for MOLCAS modules, and visualizes calculated molecular orbitals and density.
C2MOLCAS is a program integrated into Cerius
package. Description of
possible manipulations with a molecule in the Cerius model window
(e.g. sketching of molecule, rotation, moving, rescaling), as well as description
of Cerius tools can be found in Cerius documentation.
This document reflects specific to C2MOLCAS moments only.
The HTML version of current document (with screanshots) can be found at
http://www.teokem.lu.se/molcas/tutor/c2molcas/.
C2MOLCAS is self-documented program, you can invoke help window clicking by right button of mouse on any graphical element of GUI. To observe main features of GUI start walk-through tutorial using command "cerius2 $MOLCAS/cerius2/tutorial/molcas.log" For further details please read Section c2molcas (in users guide) of the user's guide.