Hi,
I have some problems and I would like to know if there are solutions for
these. (I use the coot version coot-0.3.3)
1- I have some residues with alternates conformation of the sidechain, and
for each atoms with alternates conformations, the sums of the occupations is
not equal to 1. The problem is that (with the « Real Space refine Zone »
tool of Coot) Coot change the occupations of the alternate atoms to put the
sum at 1. (example CB APHE 0.5 and CB BPHE 0.2; after optimization by coot
CB APHE 0.5 and CB BPHE 0.5)
2- For atoms with a name of 4 Letters (HD11), coot read only 3 letters. The
consequences are:
--- coot can't optimize these atoms
--- coot save the structure with the 3 letters definiton and so create
duplicate atoms (example: atoms HD11, HD12 and HD13 at the beginning; 3
atoms HD1 after that coot saved the structure; so refmac can't read this file).
Do you have some solutions for these 2 problems?
Thanks
Lionel Colliandre
Centre de Biochimie Structurale
Montpellier, France.
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