Editing NEEMP:files (section)

=SDF file=
[[File:sdf_file.png | thumb | 400px | right| '''''Figure 8:''''' V2000 MOL record extracted from '''SDF''' file ''examples/set01.sdf''. Note the atomic coordinates and bond connections blocks and the ''$$$$'' line marking the end of the record.]]

'''SDF''' file contains MOL records for each molecule separated by line consisting only of four dollar signs, i.e. $$$$. Each MOL record can be either in '''V2000''' or '''V3000''' version. The latter one is required for molecules with more than 999 atoms or bonds. For further reference on MOL format, see specification: [http://c4.cabrillo.edu/404/ctfile.pdf CTFile formats].

For convenience '''NEEMP''' has a support for reading '''SDF''' files which are compressed using ''gzip'' method. This might be useful when working with large databases of molecules.
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