Re: [modeller_usage] Need help on topology format convert (X-PLOR to CHARMM)

[Modeller Caretaker <modeller-care@ucsf.edu>]

sui x.g. wrote:
> I really cannot figure out how to transfer a topology file from X-PLOR 
> format to CHARMM format. Can anyone help me out?

Refer to the CHARMM documentation at www.charmm.org, and look at the 
topology files within Modeller (e.g. modlib/top_heav.lib). The CHARMM 
and X-PLOR formats are very similar, so this shouldn't be very difficult 
to do. Note that you will also need to convert the parameter file.

In most cases, however, treating ligands as block residues (rigid 
bodies) works well enough in Modeller, in which case no topology or 
parameters are required.

	Ben Webb, Modeller Caretaker
--
modeller-care@ucsf.edu             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage