CCL:G: Educational software for molecular modeling/computational chemistry co

 Sent to CCL by: "Dan T Major" [majort()]
 Dear Colleagues,
 I would like your advice regarding educational software for molecular
 modeling/computational chemistry
 In my department, we have been giving a course in molecular modeling for some
 years now that includes
 lectures and hands-on sessions. Its a rather extensive course that covers
 potential energy surfaces
 (molecular mechanics, quantum chemistry), minimization methods, molecular
 dynamics, solvation,
 docking, protein modeling, pharmacophores, and some solid-state modeling using
 DFT. The course has
 been geared towards a general graduate student audience (not specialists) to
 expose young researchers
 to modeling. The course includes a final project related to their area of
 The hands-on part of the course is an essential part of the course and we have
 used Discovery Studio
 and Materials Studio (Biovia). Due to continuously increasing costs it has now
 become too expensive for
 us, and we are looking for much cheaper alternatives that have similar easy
 intuitive GUI for a wide range
 of applications (to minimize the need for students to spend time learning many
 different programs). We
 have many existing platforms, but none really fill this need (i.e. Gaussian,
 Q-Chem, CHARMM, Amber,
 VASP, Autodock, etc.). Schrodinger is currently also on the expensive side for
 educational purposes. Any
 Thank you,
 Prof. Dan T Major
 Chemistry Department
 Bar-Ilan University
 Ramat-Gan 52900
 Phone: 972-3-5317392
 Fax: 972-3-7384053
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