[Zinc-fans] ZINC: downloadable purchasing info?

marc marc at plasmodium.sfsu.edu
Tue Sep 15 19:44:02 PDT 2009


Hi John (and other ZINC fans),

Quick question that is hopefully simple:

When downloading the purchasing information for the "all chemical set", 
the file format appears to be XLS. 

i.e.       http://zinc.docking.org/subset1/6/6_purch.xls

Since Excel doesn't allow you to view past ~65000 records, doesn't that 
make XLS a bad file format
to use for a collection that is ~13million compounds?.   To my 
knowledge, XLS isn't a text-based
file format, making it not readable by text editors (or perl scripts, 
etc), thus you're stuck with Excel
(or maybe Open Office).

I.e. wouldn't a better file format be like "csv.gz" or "csv.bz"?   
(which can be manipulated easier in a text
editor, searched with "Grep", etc).    

Thanks for any clarification!

This actually makes me wonder how you were able to create an XLS file 
containing data for  ~13 million compounds?
-marc



More information about the Zinc-fans mailing list