OK, will use IteratingSMILESReader, but the basic problem of format
detection remains.
FormatFactory.guessFormat() does not seem to recognise smiles, and
presumably wouldn't return IteratingSMILESReader (or IteratingSDFReader)
anyway.
So is there a good way of automatically detecting the right reader to use?
And what about handling gzipped files? The javadocs suggest this should
work but it doesn't for me.
Tim
On 13/01/2015 12:24, John M wrote:
Hi Tim,
Just a note... you probably want IteratingSMILESReader rather than
SMILESReader... or even SmilesParser for the most efficient.
J
------------------------------------------------------------------------------
New Year. New Location. New Benefits. New Data Center in Ashburn, VA.
GigeNET is offering a free month of service with a new server in Ashburn.
Choose from 2 high performing configs, both with 100TB of bandwidth.
Higher redundancy.Lower latency.Increased capacity.Completely compliant.
http://p.sf.net/sfu/gigenet
_______________________________________________
Cdk-user mailing list
Cdk-user@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/cdk-user
