program to display space group symmetry in three dimensions
Hi, I was looking around for programs that display space group symmetry information and could not find any but perhaps i am lost for valuable or relevant keywords. I found two references TABLES and CRYST, but are there other alternatives that are more recent, or that can run on more common hardware? TABLES: http://scripts.iucr.org/cgi-bin/paper?S0021889887086060 CRYST: http://scripts.iucr.org/cgi-bin/paper?S0021889889007168 -- Karthik Graduate student Biophysics, U-M
Hi Karthik, (another copy went to CCP4BB where you posted originally) you can use this: http://cci.lbl.gov/servers/cctbx/explore_symmetry.html and you may find this useful too: http://cci.lbl.gov/servers/index.html Pavel. On 3/16/10 5:19 PM, Karthik S wrote:
Hi, I was looking around for programs that display space group symmetry information and could not find any but perhaps i am lost for valuable or relevant keywords. I found two references TABLES and CRYST, but are there other alternatives that are more recent, or that can run on more common hardware? TABLES: http://scripts.iucr.org/cgi-bin/paper?S0021889887086060 CRYST: http://scripts.iucr.org/cgi-bin/paper?S0021889889007168 -- Karthik Graduate student Biophysics, U-M ------------------------------------------------------------------------
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Also check out our pymol plugin for showing crystal symmetry... http://pymolwiki.org/index.php/SuperSym George George N. Phillips, Jr., Ph.D. Professor of Biochemistry and of Computer Sciences University of Wisconsin-Madison 433 Babcock Dr. Madison, Wi 53706 Phone/FAX (608) 263-6142 On Mar 16, 2010, at 7:24 PM, Pavel Afonine wrote:
Hi Karthik,
(another copy went to CCP4BB where you posted originally)
you can use this:
http://cci.lbl.gov/servers/cctbx/explore_symmetry.html
and you may find this useful too:
http://cci.lbl.gov/servers/index.html
Pavel.
On 3/16/10 5:19 PM, Karthik S wrote:
Hi, I was looking around for programs that display space group symmetry information and could not find any but perhaps i am lost for valuable or relevant keywords. I found two references TABLES and CRYST, but are there other alternatives that are more recent, or that can run on more common hardware? TABLES: http://scripts.iucr.org/cgi-bin/paper?S0021889887086060 CRYST: http://scripts.iucr.org/cgi-bin/paper?S0021889889007168 -- Karthik Graduate student Biophysics, U-M
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http://spacegroup.info/ seems to be similar to the old programs you found. It runs on Windows only and isn't free. COOT shows symmetry copies, but as far as I know not the symmetry elements. I think it is great for visualizing the molecular packing. http://pldserver1.biochem.queensu.ca/~rlc/work/pymol/ has a "draw_symops_cctbx.py" script for PyMOL. (It is a bit tricky but not actually difficult to build cctbx with the same Python interpreter used by PyMOL. You can ask me if you run into trouble trying this.) If you find anything else, let us know! Ralf
participants (4)
-
George Phillips -
Karthik S -
Pavel Afonine -
Ralf W. Grosse-Kunstleve