Comfa
Submitted by abhimcops on January 8, 2009
- Category: Science
- Words: 307
- Pages: 2
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Comfa
More Types of Molecular Fields
In addition to steric and electrostatic fields,
Advanced CoMFA can calculate several new
types of fields. Hydrogen bonding fields1 are
created by assigning energies equal to the
steric cutoff energy to lattice points that are
close to H-bond accepting or donating
atoms. Indicator fields2 are used to convert
continuous data to discrete. Parabolic fields
are created by squaring the original field at
each lattice point, but retaining the sign of
the original field.
Increased Accuracy and Clarity
Region Focusing is a new technique that
allows you to increase the...
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