From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Mar 16 2004 - 10:24:23 CST

Hi,
  You might want to read some of the source code of the 'solvate' plugin which
builds water boxes, as what you want to do is fairly similar and could
probably be written using the same general method. (replicate the the unit
cell to build a larger Au layer...)

  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Mar 09, 2004 at 10:41:33AM +0800, lmfok_at_acae.cuhk.edu.hk wrote:
> Dear all,
>
> I would like to create a layer of gold surface using the attached pdb file of
> a unit AU cell. Would it be possible to use some tcl scripts to do so? Thank
> you for your kind attention.
>
> Best Regards,
> Crystal Fok
> __________________________________________
> Automation and Computer-Aided Engineering
> The Chinese University of Hong Kong
>
>
>
> ---------------------------------------
> This mail sent through ERG Webmail,CUHK

> CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
> ATOM 1 Au AUI X 1 0.000 0.000 0.000 0.00 0.00 0
> ATOM 2 Au AUI X 2 0.862 -1.491 -2.313 0.00 0.00 0
> ATOM 3 Au AUI X 3 1.848 -2.193 0.305 0.00 0.00 0
> ATOM 4 Au AUI X 4 2.710 0.255 -0.953 0.00 0.00 0
> ATOM 5 Au AUI X 5 3.696 -0.446 1.665 0.00 0.00 0
> ATOM 6 Au AUI X 6 4.558 -1.937 -0.648 0.00 0.00 0
> ATOM 7 Au AUI X 7 5.544 -2.639 1.969 0.00 0.00 0
> ATOM 8 Au AUI X 8 6.406 -0.191 0.712 0.00 0.00 0
> ATOM 9 Au AUI X 9 7.392 -0.892 3.330 0.00 0.00 0
> ATOM 10 Au AUI X 10 8.254 -2.383 1.017 0.00 0.00 0
> ATOM 11 Au AUI X 11 0.000 -3.939 -1.056 0.00 0.00 0
> ATOM 12 Au AUI X 12 0.862 -5.431 -3.368 0.00 0.00 0
> ATOM 13 Au AUI X 13 1.848 -6.132 -0.751 0.00 0.00 0
> ATOM 14 Au AUI X 14 2.710 -3.684 -2.008 0.00 0.00 0
> ATOM 15 Au AUI X 15 3.696 -4.385 0.609 0.00 0.00 0
> ATOM 16 Au AUI X 16 4.558 -5.877 -1.704 0.00 0.00 0
> ATOM 17 Au AUI X 17 5.544 -6.578 0.914 0.00 0.00 0
> ATOM 18 Au AUI X 18 6.406 -4.130 -0.343 0.00 0.00 0
> ATOM 19 Au AUI X 19 7.392 -4.831 2.274 0.00 0.00 0
> ATOM 20 Au AUI X 20 8.254 -6.323 -0.039 0.00 0.00 0
> ATOM 21 Au AUI X 21 0.000 -7.878 -2.111 0.00 0.00 0
> ATOM 22 Au AUI X 22 2.710 -7.623 -3.064 0.00 0.00 0
> ATOM 23 Au AUI X 23 3.696 -8.325 -0.446 0.00 0.00 0
> ATOM 24 Au AUI X 24 6.406 -8.069 -1.399 0.00 0.00 0
> ATOM 25 Au AUI X 25 7.392 -8.771 1.219 0.00 0.00 0
> ATOM 26 Au AUI X 26 1.724 0.957 -3.570 0.00 0.00 0
> ATOM 27 Au AUI X 27 2.585 -0.535 -5.883 0.00 0.00 0
> ATOM 28 Au AUI X 28 3.572 -1.236 -3.266 0.00 0.00 0
> ATOM 29 Au AUI X 29 4.433 1.212 -4.523 0.00 0.00 0
> ATOM 30 Au AUI X 30 5.420 0.511 -1.905 0.00 0.00 0
> ATOM 31 Au AUI X 31 6.281 -0.981 -4.218 0.00 0.00 0
> ATOM 32 Au AUI X 32 7.268 -1.682 -1.601 0.00 0.00 0
> ATOM 33 Au AUI X 33 8.129 0.766 -2.858 0.00 0.00 0
> ATOM 34 Au AUI X 34 9.116 0.064 -0.241 0.00 0.00 0
> ATOM 35 Au AUI X 35 9.977 -1.427 -2.553 0.00 0.00 0
> ATOM 36 Au AUI X 36 1.724 -2.983 -4.626 0.00 0.00 0
> ATOM 37 Au AUI X 37 2.585 -4.474 -6.939 0.00 0.00 0
> ATOM 38 Au AUI X 38 3.572 -5.175 -4.321 0.00 0.00 0
> ATOM 39 Au AUI X 39 4.433 -2.727 -5.578 0.00 0.00 0
> ATOM 40 Au AUI X 40 5.420 -3.429 -2.961 0.00 0.00 0
> ATOM 41 Au AUI X 41 6.281 -4.920 -5.274 0.00 0.00 0
> ATOM 42 Au AUI X 42 7.268 -5.621 -2.656 0.00 0.00 0
> ATOM 43 Au AUI X 43 8.129 -3.173 -3.914 0.00 0.00 0
> ATOM 44 Au AUI X 44 9.116 -3.875 -1.296 0.00 0.00 0
> ATOM 45 Au AUI X 45 9.977 -5.366 -3.609 0.00 0.00 0
> ATOM 46 Au AUI X 46 1.724 -6.922 -5.681 0.00 0.00 0
> ATOM 47 Au AUI X 47 4.433 -6.667 -6.634 0.00 0.00 0
> ATOM 48 Au AUI X 48 5.420 -7.368 -4.016 0.00 0.00 0
> ATOM 49 Au AUI X 49 8.129 -7.113 -4.969 0.00 0.00 0
> ATOM 50 Au AUI X 50 9.116 -7.814 -2.352 0.00 0.00 0
> ATOM 51 Au AUI X 51 3.447 1.913 -7.140 0.00 0.00 0
> ATOM 52 Au AUI X 52 5.295 -0.279 -6.836 0.00 0.00 0
> ATOM 53 Au AUI X 53 7.143 1.467 -5.476 0.00 0.00 0
> ATOM 54 Au AUI X 54 8.991 -0.725 -5.171 0.00 0.00 0
> ATOM 55 Au AUI X 55 10.839 1.021 -3.811 0.00 0.00 0
> ATOM 56 Au AUI X 56 3.447 -2.026 -8.196 0.00 0.00 0
> ATOM 57 Au AUI X 57 5.295 -4.219 -7.891 0.00 0.00 0
> ATOM 58 Au AUI X 58 7.143 -2.472 -6.531 0.00 0.00 0
> ATOM 59 Au AUI X 59 8.991 -4.665 -6.226 0.00 0.00 0
> ATOM 60 Au AUI X 60 10.839 -2.918 -4.866 0.00 0.00 0
> ATOM 61 Au AUI X 61 3.447 -5.965 -9.251 0.00 0.00 0
> ATOM 62 Au AUI X 62 7.143 -6.411 -7.587 0.00 0.00 0
> ATOM 63 Au AUI X 63 10.839 -6.857 -5.922 0.00 0.00 0
> END

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078