[Zinc-fans] reply: ZINC: downloadable purchasing info?

zjxu zjxu at mail.shcnc.ac.cn
Tue Sep 15 21:07:53 PDT 2009


Hi marc,

To my knowledge, the the zinc xls is not the XLS format developed by the

The zinc xls format is some text delimitated by the tab(\t). So you can open
it by vi or any other txt editor(emacs, ultraedit …).

Though the XLS is somewhat confusing but it’s convenient for a beginner
when using the windows operating system.




发件人: zinc-fans-bounces at docking.org [mailto:zinc-fans-bounces at docking.org]
代表 marc
发送时间: 2009年9月16日 星期三 10:44
收件人: zinc-fans at docking.org
主题: [Zinc-fans] ZINC: downloadable purchasing info?


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?




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