[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [modeller_usage] disulfide



Lixia Jin wrote:
First try MODELLER.
It worked good. Then I added DISU as I learned from the manual by redefining the special_patches(). (Script as below) The new model is the same as the old one. I don't see disulfide bond between the two cysteins. Can any one explain it a bit? Thank you!
Your script looks fine to me. As for why you're not seeing the disulfide 
bond, this could have two explanations:
1. Modeller does not add any connectivity information to the generated 
PDB file. So your PDB viewer will not "know" to draw a disulfide bond. 
Some viewers will just try to guess if such a bond exists by looking at 
the distances between residues.
2. It may be that your structure is very strained, or the template 
information strongly disagrees with the disulfide you've added, so that 
the disulfide restraints cannot be satisfied. In that case, you should 
see the violations of these restraints in your log file.
	Ben Webb, Modeller Caretaker
--
modeller-care@salilab.org             http://www.salilab.org/modeller/
Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage