I checked back and the 1992 format decscription did not use columns 77 - 80 for ATOM/HETATM records. But the 1996 document did use them. I then checked the old Newsletters and the proposed use of columns 77 - 80 was discussed in April 1995.
Frances ===================================================== **** Bernstein + Sons * * Information Systems Consultants **** 5 Brewster Lane, Bellport, NY 11713-2803 * * *** **** * Frances C. Bernstein * *** f...@bernstein-plus-sons.com *** * * *** 1-631-286-1339 FAX: 1-631-286-1999 ===================================================== On Tue, 4 Oct 2011, Ian Tickle wrote:
On Tue, Oct 4, 2011 at 4:41 PM, Eleanor Dodson <c...@ysbl.york.ac.uk> wrote: OK So the ATOM TYPE has ZN O C S etc in column 77/78 and the +2 etc in 79/80 Is there any documentation for this? E Yes, see: ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_A4.pdf Though this has been the format for ATOM/HETATM records ever since I can remember. Cheers -- Ian