[Chimera-users] saving Mol2 files with $name or $number

[Elaine Meng]

Hi Prasad,
You would have to look at the file format descriptions in the DOCK6 manual and try the file yourself.  There is also a DOCK mailing list for DOCK questions.
<http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#TriposMOL2Format>
<http://dock.compbio.ucsf.edu/Contact_Info/index.htm>
Best,
Elaine

> On Feb 28, 2019, at 8:49 PM, prasad ssv <prasad.ssva at gmail.com> wrote:
> 
> okay,
> thank you for your approach towards my problem.its been solved.
> i have individual mol2 files in single file.please check my combined file is that file okay for docking by using dock6 suite.file is attched below
> thanking you,
> 
> On Thu, Feb 28, 2019 at 10:43 PM Elaine Meng <meng at cgl.ucsf.edu> wrote:
> Hi Prasad,
> I don’t know what other words to use — it is exactly as the description says.  First decide if you want one file or multiple files.  If you want one file, choose whether you want all in one molecule or individual molecule sections,  then choose location and enter the filename.  (Most people want individual molecules, but we are giving you the choice.) If you want multiple files, choose location, but there is only one place to enter name (even though the result will have multiple names) so you have to enter something that literally includes “$name” or “$number”.
> 
> Example:
> If you have two files that are models #1 and #2 in Chimera and you choose to save multiple files and enter file name:  
> blahblah$number.mol2
> … then you will get two files, blahblah1.mol2 and blahblah2.mol2
> 
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> 
> > On Feb 28, 2019, at 5:41 AM, prasad ssv <prasad.ssva at gmail.com> wrote:
> > 
> > hi 
> > good evening
> > i have sdf files,i converted all those sdf files into single mol2 files..there is a option 
> >       • a single file [individual @MOLECULE sections]
> >       • multiple files [file name must contain $name or $number] 
> >       • a single file [combined @MOLECULE section]  
> > may i know meaning of these option and i would like to know file name must contain $name or $number may i know how to write that.  
>