Author Topic: Ag 111 sheet  (Read 3757 times)

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Offline ulysse888

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Ag 111 sheet
« on: November 29, 2011, 11:52 »
Dear Friends and Collegues,

Help me, please. How can I create Ag 111 monolayer sheet, lets say 90x90 angstrem ? this must be exportable to another molecular modeling program as a file with extenson .pdb prferable), xyz,pdbqt,hin, ent etc.
Thank you in advance and sorry for the noob quest,
ulysse :(
« Last Edit: November 29, 2011, 11:57 by ulysse888 »

Offline Anders Blom

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Re: Ag 111 sheet
« Reply #1 on: November 29, 2011, 12:48 »
In VNL, take Ag from the Database and move it to the Builder. Then cleave it in the 111 direction, remove two atoms, and repeat in X/Y as needed (40 times or so). You can export as XYZ from the Builder, although you will lose the cell size information since this cannot be encoded into XYZ. An alternative is to export as CIF.

Tip: use OpenBabel to convert between different formats (like XYZ to PDB).

Offline ulysse888

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Re: Ag 111 sheet
« Reply #2 on: November 30, 2011, 14:31 »
Dear Anders,

Thank yu very much for your replay in forum. I will try to do what you suggest,
thanks again,
Sincerely
Ulysse88


P.S. By the way, I cannot see any picture wiith a code

Offline Anders Blom

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Re: Ag 111 sheet
« Reply #3 on: December 1, 2011, 12:46 »
I didn't add any picture, so you shouldn't need any code :) Your account is activated, so you will be able to see attachments etc.