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Can X-PLOR tell the difference between OE1 and NE2 of Gln

Aaron Oakley s_aarono at EDUSERV.ITS.UNIMELB.EDU.AU
Thu Mar 21 17:23:52 EST 1996

> 	I have one final refined model of very high resolution
> structure. There is one residue (Gln) whose sidechain atoms NE2 and OE1
> should be switched in order to fulfill the neibouring atoms' hydrogen bond
> interaction. However X-PLOR always give me the negative result. Can

What do you mean by "negative result"?
Does X-plor push the side chain out of density?

Could it be that you need to re-run generate.inp after
switching NE2 and OE1 that X-PLOR can build appropriate 
hydrogens for H-bond interactions?

Hope this helps,


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