Taken from anonymous FTP on styx.iqm.unicamp.br
Program to calculate molecular suface and molecular volume
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From CCL list message:
Let me suggest the use of GEPOL available from power.ci.uv.es last time I looked
for it. In the source you would find several references explaining the methods
used in the program. Also there is a recent article in J. Comp. Chem. (look
for Pascual-Ahuir et. al in the CCL periodicals directories)
Hope this help.
Dr. Rafael R. Pappalardo
Dept. of Physical Chemistry, Univ. of Seville (SPAIN)
e-mail: rafapa@obelix.cica.es
We used MSEED from QCPE for surface area claculations the advantage of this was
that derivatives could be calculated
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Original README:
Dear User.
We distribute GEPOL without charge. However in order to be allocated
adecuate funds for our research we need to justify that GEPOL is a
useful program. We would therefore greatly appreciate if you would
fill in this form and return it to us.
********************************************************************
Name
Address
Which version of GEPOL do you have?
How did you acquire the program?
What is your main field of work?
Why are you interested in GEPOL?
Date and signature
Please return to:
E. Silla, Departamento de Quimica-Fisica, Universidad de Valencia
46100 Burjassot (Valencia),Spain
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