VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Sun Mar 29 2015 - 01:29:38 CDT

Please reply to the whole list and not just me --

I would use this -- to move a selection's centre to the origin --

set sel_ [atomselect top "protein and chain A"]
set cen_ [measure center $sel_]
set m1_ [trans origin $cen_]

$sel_ move $m1_

On Sun, Mar 29, 2015 at 6:54 PM, Mohan maruthi sena <maruthi.sena_at_gmail.com>
wrote:

> HI,
> How to align the center of sheet to origin?
>
> Thanks,
> Mohan
>
> On Sun, Mar 29, 2015 at 10:26 AM, Mohan maruthi sena <
> maruthi.sena_at_gmail.com> wrote:
>
>> Thanks for reply. I will try this and let you know.
>>
>> Thanks,
>> K. Mohsn
>>
>> On Sun, Mar 29, 2015 at 10:00 AM, Ashar Malik <asharjm_at_gmail.com> wrote:
>>
>>> The transformation is defined about the y-axis. Your approach should be
>>> to first make the center of the sheet align with the origin through
>>> translation. Once you done the translation rotate it by 180. Then translate
>>> it to the new location.
>>>
>>> After you have aligned the sheet center to the origin, you could make a
>>> custom affine transformation to both rotate 180deg and then translate
>>> using one move command.
>>>
>>> Best,
>>> /A
>>> On Mar 29, 2015 5:05 PM, "Mohan maruthi sena" <maruthi.sena_at_gmail.com>
>>> wrote:
>>>
>>>> Dear all,
>>>> My system contains two sheet of molecules. I want to
>>>> select one sheet and translate it to a distance of 10 angstorms and then
>>>> invert (flip) it. I have written following tcl script,
>>>>
>>>> set sel [atomselect top z>14.0] # this selects the top sheet
>>>> $sel moveby {0 0 10} # this translates the top sheet to 10 angstorms
>>>> set M [ transaxis y 180] # just flips the top sheet
>>>> $sel move $M
>>>>
>>>> The output of this script shows that the top sheet is flipped but it
>>>> altogether goes to a new position. My question is how to make the top sheet
>>>> flipped at the same positon [ after translating to the distance of ten
>>>> angstorms].
>>>>
>>>> Thanks in advance for a reply,
>>>> K. Mohan
>>>>
>>>>
>>
> 

-- 
Best,
/A