[PyMOL] nucleic acid (one or two letter) residue names

2011-05-17 Thread Pascal Auffinger
Hi Jason, A more difficult one (at least for me) Pymol seems to write (through save command) nucleic acid residue names not as suggested by PDB convention. Here is an extract of a PDB file (any PDB file containing nucleic acid residues shows the same ­ try 100D for example) ATOM 1 O5' C

Re: [PyMOL] set pdb_reformat_names_mode

2011-05-17 Thread Jason Vertrees
Pascal, Here you go (http://www.pymolwiki.org/index.php/Pdb_reformat_names_mode). If anyone else has more information on that or other settings, please feel free to update the wiki. Cheers, -- Jason On Tue, May 17, 2011 at 11:17 AM, Pascal Auffinger wrote: > Hi, > The pymol manual indicates:

Re: [PyMOL] Set pdb_echo_tags, HEADER

2011-05-17 Thread Jason Vertrees
Hi Pascal, > Please can someone precise the syntax of: > Set pdb_echo_tags, HEADER set pdb_echo_tags, "HEADER, REMARK, ATOM, HETATM" The syntax of the final field is just a quoted, comma-separated list of PDB fields. > It doesn't seem to work. What is expected is to save the HEADER lines > alon

[PyMOL] set pdb_reformat_names_mode

2011-05-17 Thread Pascal Auffinger
Hi, The pymol manual indicates: pdb_reformat_names_mode (integer: 0-4, default: 0) affects how and whether or not PDB names are reformatted in order to attempt to meet alternate conventions. What are these four modes ? Is this working internally or does it have an effect on saved files? Thanks

[PyMOL] Set pdb_echo_tags, HEADER

2011-05-17 Thread Pascal Auffinger
Hi, Please can someone precise the syntax of: Set pdb_echo_tags, HEADER Since there is no documentation for this, I am not really sure about what I am doing. It doesn't seem to work. What is expected is to save the HEADER lines along with the pdb coordinates. Yet, when I save a PDB file the HEA