Hi,
For more information on Amber file formats see here:
http://ambermd.org/formats.html
-Dan
On Thu, Aug 3, 2017 at 3:46 AM, Albert <mailmd2011.gmail.com> wrote:
> Hello,
>
> I found that there are two different .crd file format as showing here:
>
> format 1:
>
> 83.617 91.245 83.574 83.178 90.955 84.557 84.259 90.559
> 26.476 71.319
> 79.865 26.811 70.943 79.051 27.179 71.890 80.173 55.319
> 75.483 27.308
> 56.225 75.761 27.174 55.268 75.272 28.240 72.497 6.727
> 51.804 71.988
> 7.401 51.353 73.108 7.217 52.354 31.767 51.967 19.443
> 32.344 51.838
> 20.196 32.036 52.809 19.076 69.035 57.539 65.948 69.826
> 57.941 66.307
> 68.441 57.471 66.695
> 85.066 87.527 96.926
>
>
> format 2:
>
> 6.5414300 15.4069280 4.7970610 8.6312420 15.7948990 5.1328580
> 8.9190230 15.5403290 4.2561590 9.1435640 15.2426350 5.7234150
> 8.6984780 16.7165090 12.4996780 9.6252090 16.4809360 12.5432740
> 8.6835210 17.5437090 12.0182810 15.2662340 15.9434950 12.3237820
> 16.0587660 15.4484180 12.1163780 15.5595490 16.6225090 12.9313430
> 73.5534670 71.0908570 63.4316400 90.0000000 90.0000000 90.0000000
>
>
> As we can see that format 1 has much more columns than format 2, while
> format 2 has a clear PBC BOX information at the end of the file.
>
> I am just wondering how an we convert format 1 to format 2 for the .crd
> file?
>
> Thanks a lot.
>
> Albert
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Aug 07 2017 - 07:30:02 PDT
