CCP4 SFALL program

[Dave Love]

>>>>> In article <3fjref$j7a at nntp.ucs.ubc.ca>, ywchen at laue.biochem.ubc.ca (Y. W. Chen) writes:

 > Hello,
 > I ran SFALL for a myoglobin PDB file and got the error message :

 >  *** Atom name not recognised - set to ZZZ:  154 NC   HEM 

 > The actual line in the PDB file is like this:

 > ATOM   1200  NC  HEM M 154      14.208  27.705   3.510  1.00  5.71          

As I understand it you don't need to worry.  For what it's worth, the
`standard' atom names used are

     'C   ','CA  ','CA2 ','CB  ','CB2 ','CG  ','CG1 ',
     'CG2 ','CD  ','CD1 ','CD2 ','CE  ','CE1 ','CE2 ','CE3 ',
     'CZ  ','CZ2 ','CZ3 ','CH2 ','N   ','ND1 ','ND2 ','NE  ',
     'NE1 ','NE2 ','NZ  ','NH1 ','NH2 ','O   ','OG  ','OG1 ',
     'OD1 ','OD2 ','OE1 ','OE2 ','OE  ','OH  ','OW  ','SD  ',
     'SG  ','SG2 '

I don't know whose standard this is.  I will try to get the
documentation improved.

--Dave (I'm not the Secretary)
-- 

Thank you for your interest in the CCP4 protein crystallography programs.

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