Revision as of 08:46, 30 May 2016

This section shows several use case examples. All of them use only data from examples directory.

Example 1

Prints information about training set, group atoms according to chemical element and bond order.

Revision as of 08:45, 30 May 2016 edit Francesco (talk \| contribs) 510 edits →Example 1 ← Older edit		Revision as of 08:46, 30 May 2016 edit undo Francesco (talk \| contribs) 510 edits →Example 1 Newer edit →
Line 5:		Line 5:

	;./neemp -m info --atom-types-by ElemBond --sdf-file examples/set01.sdf		;./neemp -m info --atom-types-by ElemBond --sdf-file examples/set01.sdf

	:Prints information about training set, group atoms according to chemical element and bond order.		:Prints information about training set, group atoms according to chemical element and bond order.