CCL: Cremer-pople parameters

 Sent to CCL by: Mihaly Mezei [Mihaly.Mezei##mssm.edu]
 ----- Original Message -----
 > From: "Neha Gandhi n.gandhiau[a]gmail.com"
 <owner-chemistry~~ccl.net>
 Date: Thursday, December 4, 2008 12:38 am
 Subject: CCL: Cremer-pople parameters
 >
 > Sent to CCL by: "Neha Gandhi" [n.gandhiau===gmail.com]
 > Hi,
 >
 > I am looking for a program which can help me to calculate Cremer-Pople
 > ring puckering parameters for pyranose or in general six member rings
 > > from the AMBER trajectories. I heard about Mark Foster's program
 > QCPE,but its hard to visualise.
 >
 > I am grateful for you reply,
 >
 > Regards,
 > Neha Gandhi,
 > School of Biomedical Sciences,
 > Curtin University of Technology,
 > GPO Box U1987 Perth,
 > Western Australia 6845
 >
 >
 My program Simulaid can do that (http://inka.mssm.edu/~mezei/simulaid)
 Regards,
 > Mihaly Mezei
 Department of Structural and Chemical Biology, Mount Sinai School of Medicine,
 NYU
 Voice:  (212) 659-5475   Fax: (212) 849-2456
 WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=0000072500001497192632
 WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei
 WWW (Department): http://atlas.physbio.mssm.edu