CCL:G: how to generate .mol file with partial charge from gaussview



You can use openbabel to convert gaussian output to mol2 format.
MDL MOL format, work only with connectivities.

2010/4/11 SUBHADEEP SAHA saha.subhadeep,,gmail.com <owner-chemistry-,-ccl.net>

Sent to CCL by: SUBHADEEP SAHA [saha.subhadeep+/-gmail.com]
Dear all,

 I have generated partial charge of each atom of a molecule using
gaussian. Now I want to generate a .mol or any other file which will
contain the  co-ordinates of each atom and the respective partial
charges.I tried to write a code,but due to variety of partial charge
on the atoms I failed.Can any one of you please help me out?

--
Regards,
Subhadeep Saha
C/O Dr.Rahul Banerjee
Materials and Physical Chemistry Division
National Chemical Laboratory
Dr. Homi Bhabha Road
Pune:411008
Maharasthra
India
Ph:+91-20-2590-2387
    +91-20-2590-2535
    +91-20-2590-2598



-= This is automatically added to each message by the mailing script =-
E-mail to subscribers: CHEMISTRY-,-ccl.net or use:
     http://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST-,-ccl.net or use
     http://www.ccl.net/cgi-bin/ccl/send_ccl_message

Subscribe/Unsubscribe:
     http://www.ccl.net/chemistry/sub_unsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.net/jobs
Conferences: http://server.ccl.net/chemistry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.shtml
     http://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/



--
Mario Saavedra
Physical Chemistry, PhD Program
Universidad Andres Bello
Santiago, Chile