Hello all,
The parm99.dat file has the following atom types:
.....
CA 12.01 0.360 sp2 C pure aromatic (benzene)
CB 12.01 0.360 sp2 aromatic C, 5&6 membered ring
junction
CC 12.01 0.360 sp2 aromatic C, 5 memb. ring HIS
CD 12.01 0.360 sp2 C atom in the middle of: C=CD-CD=C
CK 12.01 0.360 sp2 C 5 memb.ring in purines
CM 12.01 0.360 sp2 C pyrimidines in pos. 5 & 6
.......
However, in a prepin file generated by Antechamber from a purine like
compound, there were only CA (for all Cs in ring regardless in 5 or 6 member
ring in conjunction). So why there is no CB or CC while there supposed to
be?
Thank you.
Yong
******************************************
Yong Liang Zhu, Ph.D.
Senior Scientist, Bioinformatics
Plexxikon, Inc.
91 Bolivar Dr.
Berkeley, CA 98710
Tel: 510 647 4028
Fax: 510 548 4785
Email: yzhu.plexxikon.com
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Received on Wed Aug 13 2003 - 23:53:00 PDT
