On Thu, Oct 21, 2004 at 01:16:32AM +0800, Shu-Qun Liu wrote: > The WRITE_DATA command can write the selected > types of data (such as PSA DIH NGH SSM CRV CAV CROSS-SECTIONS) > about the MODEL to a corresponding file. ... > I can not find 1fas.crv, 1fas.cav in the ouput directory. And there is no > information on writing 1fas.crv and 1fas.cav in write_data.log file. > Where can I get these two files or information about mainchain > curvatures and protein internal cavity volums? is it a bug?
Yes, it is a bug. If you request CRV then you will not get a .crv file. The Biso field of the model is still set with the values, however, so you just need to call WRITE_MODEL afterwards.
The cavity code is not yet fully functional, and is not enabled in this release, so if you request CAV, you won't get anything produced.
Ben Webb, Modeller Caretaker