CCP4 SFALL program

Dave Love d.love at dl.ac.uk
Mon Jan 23 09:19:58 EST 1995


>>>>> 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.

 Secretary to CCP4      | Telephone: (+44) 1925 603530  (direct line) 
 Daresbury Laboratory   | Facsimile: (+44) 1925 603124
 Warrington WA4 4AD     | e-mail:    ccp4 at dl.ac.uk
 UK                     |




More information about the Xtal-log mailing list