explore

explore (<name> [<filter function>] [<option>])

	<filter function>	=	rmsd ( <float> [align] [ <atomset>] [no_hydrogen])
	<atomset>	=	all | base_only | backbone_only | pse_only
	<option>	=	file_pdb (" <Cformat>" [zipped])
		=	file_rnaml (" <File name>" [zipped])
		=	file_bin (" <Cformat>" [zipped])
		=	socket_bin (" <address>" <port> " <Cformat>")

The filter sub-statement builds a special cache for filtering the structures to be saved.

The only present filtering function is a rmsd function that compares the new solution with the cached ones. It's arguments are the rmsd lower bound, an flag to align the candidate structure with it's best match in the cache and the atom sets to be considered in the rmsd function.

The optional zipped keyword will enable the compression of output files.

Example:

 explore
 (
   trna_phe
   rmsd (1 align base_only no_hydrogen)
   file_pdb ("PDB/helix-%03d.pdb" zipped)
 )