-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear Chen Zhao,
if I understand correctly, you can use coot: It displays the unit cell based on the CRYST1 card present in some PDB file, and can read in and display the PDB file and also show the symmetry equivalents. It also writes out the coordinates of (nearly) anything you see on the screen. Regards, Tim On 08/01/2013 04:08 AM, Chen Zhao wrote: > Dear all, > > I have been trying to search for some softwares/applications that > can display the crystal space group "lattice" based on the input of > cell dimension and space group. Ideally, it can also apply the > arbitrary symmetry operation to a molecule with given orientation > and position in the unit cell. It would be perfect if it can output > a PDB file. Does anybody heard of something like that? > > I know it might not be too hard to be realized with a script > simply modifying the coordinates, but unluckily I am not a > programmer. And actually, even some simple PDB files of different > space group, in which molecules are represented as dots, would be > very helpful. > > Thank you so much! > > Sincerely, Chen Zhao > - -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.14 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org/ iD8DBQFR+gymUxlJ7aRr7hoRAti+AJ4uRzjHacv83RRDx0Z8YMGz4b42LACg3rHF qtsECNzCuOfCnAoeYHACJKw= =MwBV -----END PGP SIGNATURE-----
