[Zinc-fans] purchasing info

[John J. Irwin]

Hi Vladimir

chupvl wrote:
> Dear zinc-fans,
>
> yesterday I've tried to download the purchasing info for "everything" 
> subset from ZINC, but the 2,4 Gb Excel file seems very.....HUGE.
> And also it can't be open in Excel program (the limitaton for 50 
> thousand rows). Can you provide the gziped CSV file or where can I 
> download it?
>   
The file is tab delimited text format, and can be opened by any
spreadsheet. However, most spreadsheets only support 65K rows, or so. To
view other entries, you can use vi, emacs, or grep to extract rows of
interest. I do not see how CSV will help, but if you make the case, I
could convert tab delimited to comma separated.
> The second question arise -- how canSEA predictions (if possible) for a 
> subset of molecules when I download it?
>   
I don't quite understand what you are asking, although I understand you
are asking about SEA predictions and downloading. As you asking whether
SEA predictions could be included in some file? If so, which one?  Can
you please rephrase the question?

Good docking!

John
UCSF ZINC Team