Re: dcd to pdb conversion

From: Srijita Paul (srijitap91_at_gmail.com)
Date: Wed Jan 04 2017 - 13:05:28 CST

Thanks for the reply. It was really helpful.

On 4 Jan 2017 5:57 p.m., <sonu2kd_at_gmail.com> wrote:

> Its very simple.
> Load the pdb along with dcd in vmd
> Use a variable to store your selection like :
> set t [atomselect top "fragment 1 or fragment 2"]
> $t writepdb t.pdb
> You can also use frame number in atomselect command and for loop can be
> implemented to convert all frames at once.
>
> I would recommend that you first learn vmd properly.
>
>
>
> On Wed, Jan 4, 2017 at 5:49 PM +0530, "Srijita Paul" <srijitap91_at_gmail.com
> > wrote:
>
> Hi
>> I am using a system which contains 4 different types of molecule.Now I
>> want to extract coordinates of any two kind of molecules among the 4
>> molecules from the dcd file to a pdb file.I have one tcl script to convert
>> dcd to pdb which is attached here but it is working only for one molecule
>> or for all molecules.Is there any way to select two different moleule or
>> resname in the script?
>>
>

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