SOLV
PLATON offers two options for the detection and analyses of solvent
accessible voids in a crystal structure.
- SOLV is a faster version of VOID (at the price that no packing
coefficient is calculated).
- VOID, a more compute intense version, is useful
when, in addition to the detection of solvent areas, a packing coefficient
(Kitaigorodski, A.I. in Organic Chemical Crystallography,
Consultants Bureau, New York, 1961), pp 107) is to be calculated.
The SOLV option is used as part of a
SQUEEZE calculation. Some background information may be obtained from the
paper Acta Cryst (1990) A46, 194-201.
See further under CALC VOID
The relevant keyboard instruction is:
CALC SOLV (PROBE radius[1.2]) (PSTEP n[6]) (LIST)
VOID TOOLS
PLATON HOMEPAGE
13-Nov-2001 A.L.Spek