Hi Ross,
Thanks for help,
Ibrahim
On 8/2/10 2:54 PM, "Bill Ross" <ross.cgl.ucsf.EDU> wrote:
>> Many thanks for the reply. Actually, this did not do what I want. It
>> created output frames with all CA atoms in each frame. I wanted to create
>> files for each CA atom with concatenated coordinates corresponding to the
>> time evolution of the different frames.
>
> So running the indicated command and then writing/running a 'splitter'
> program on the output to generate a file per CA would be appropriate.
>
> Learning to program is very useful.. here is pseudocode to get you started:
>
> for i=0; i<NRES; i++
> files[i] = open("file.i")
>
> while true
> read a crd set of CA's
> if EOF break
> for i=0; i<NRES; i++
> for j=0; j<3; j++
> write(files[i], crd[i*3+j])
> write(files[i], ' ')
>
> for i=0; i<NRES; i++
> files[i].close()
>
> Bill
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 02 2010 - 12:30:03 PDT
