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Examples for Molecular Structure
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Writing a Molecular Structure
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Writing a Molecular Structure
Syntax
WRITe
STRUcture {
write-structure-statement
} END
is invoked from the main level of X-PLOR. The END statement activates the write process.
write-structure-statement
:==
OUTPut=
filename
specifies the file to which the molecular structure information is to be written.
Xplor-NIH 2013-06-06