It would be great if pymol had support for constructing and displaying a
supercell:
For data files that support crystallographic information, e.g. pdb, pymol
can already display the unit cell (show cell). It would be great if one
could easily display multiple copies of the unit cell, along the lines of
supercell 1,1,2
where pymol would then copy the unit cell along the c-axis and display 2
unit cells.
supercell 2,2,2
would display 2 copies along the a, b, and c axes, and display 8 unit cells
in total.
As a related request it would be great if pymol could construct a unit cell
in case the crystallographic information in the input file does not exist.
This could come in handy for instance when reading from xyz. Maybe a command
such as
construct_supercell a=10.2, b=10.2, c=15, alpha=90.0, beta=90, gamma=90
would construct a cubic cell with dimensions axbxc.
Thanks,
nick
------------------------------------------------------------------------------
Download Intel® Parallel Studio Eval
Try the new software tools for yourself. Speed compiling, find bugs
proactively, and fine-tune applications for parallel performance.
See why Intel Parallel Studio got high marks during beta.
http://p.sf.net/sfu/intel-sw-dev
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
