Well, i had the same with proteins, when i first tryed to make modified
residues. It quickly turned out, that xleap load all the default residue
templates wia it's starter script (leaprc). Now, it will not recognise any
thing else in the pdb files than stuff loaded. There are two ways to solve
your problem:
1.: check the pdb file, maybe the format is not liked by xleap, it
sometimes happens. whach the residue names, in your report it was a bit
"strange"
2.: if, somehow you really need a new residue type (modified molecules)
then it's a good start to copy the closest available from the database
with the name as appeares in your pdb file. Then make the modifications.
good luck,
gusztav.
-----------------------
Gusztav SCHAY
PhD student
Semmelweis University Budapest
Dept. of Biophysics and Radiation Biology
Budapest
Puskin u. 9.
H-1088
Hungary
phone: +36-1-2662755 #4033
fax: +36-1-2666656
email: schayg_at_puskin-a206.sote.hu
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Received on Wed Jul 11 2001 - 15:25:18 PDT
