[Dock-fans] About extract one molecule from the .mol2 database

[John J. Irwin]

Hi Aurum

It would be a 6-10 line perl or python program to do this.  Maybe you
have an coding expert nearby?

You can also just download  the molecule you want from ZINC directly.
That might be the simplest in this case.

Good docking.

John

li bai wrote:
> Hi everyone,
>  
> I download the XX.mol2.gz file from zinc and unzip it. I want to find
> the one molecule from the XX.mol2 database file. But the xx.mol2 files
> is so large and I can not open it by microsoft word to find it?
>  
> Which softwares can extract one molecule from the .mol2 files ?
> Or who can tell me to use the command line to realize it?
>  
> Thanks 
>  
> Aurum  
>
>
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