[COOT] Problem writting Hs

2008-09-29 Thread Ricardo Leal 
Dear Coot Mailing list,

I am using wincoot 0.5 pre (downloaded 1-2 months ago) and I am having
problems writing hydrogens (I am refining neutron data) to the output pdb
file. Basically  coot eats the double prime.
E.g.:

Input pdb lines:
ATOM276  H2'   C A   9   7.759  -7.667  20.179  1.00 32.09  AH
ATOM277 H2''   C A   9   9.274  -7.707  20.729  1.00 32.06  AH
ATOM278  H1'   C A   9   9.992  -8.979  19.030  1.00 29.28  AH

output pdb lines:
ATOM276  H2'  Cd A   9   7.759  -7.667  20.179  1.00 32.09  AH  
ATOM277  H2'  Cd A   9   9.274  -7.707  20.729  1.00 32.06  AH  
ATOM278  H1'  Cd A   9   9.992  -8.979  19.030  1.00 29.28  AH  

Would you please let me know if this is a bug or if there is something I can
do to solve this issue.

Thanks in advance for your help,
Ricardo Leal

Re: [COOT] Problem writting Hs

2008-09-29 Thread Paul Emsley 

Ricardo Leal wrote:

Dear Coot Mailing list,

I am using wincoot 0.5 pre (downloaded 1-2 months ago) and I am having
problems writing hydrogens (I am refining neutron data) to the output pdb
file. Basically  coot eats the double prime.


Dear Richardo,

You need a fresher Coot.