Dear Jmol developers, I have a request for the Jmol developers...
Jmol handles atom names, charge values, force field atom types & more; it recognizes among others the PDB & mol2 file formats. With the R.E.D. tools & R.E.D. Server we have introduced a new file format named P2N file format. See http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#3 This P2N file format derives from the PDB file format; the main difference is that this P2N file format can handle two types of atom names: - the first one reflects chemical equivalencing used in RESP input generation and RESP/ESP charge derivation - the second one conserves atom naming conventions Do you think Jmol could recognize this P2N file format i.e. could Jmol display these two types of atom names independently? You can find an example of P2N file format @ http://q4md-forcefieldtools.org/Tutorial/P2N/Metal-complex/Mol_red1.p2n The idea would be to allow displaying these two types of atom names as Jmol already does for the regular atom names, the charge values and the force field atom types using the mol2 file format - such as in the follow applet: http://q4md-forcefieldtools.org/RED/popup/javaapplet.php Atomic charges -> displayed or not displayed Force field atom types -> displayed or not Atom names -> displayed or not We could imagine the same approach for the P2N file format i.e. for the files with the .p2n and P2N extensions: Atom names (1st column) -> displayed or not displayed Atom names (2nd column) -> displayed or not As this P2N file format is only used by the tools from q4md-forcefieldtools.org, I would understand Jmol developers would not be motivated by this request ;-) no problem with that. Thank you, regards, Francois ------------------------------------------------------------------------------ The Next 800 Companies to Lead America's Growth: New Video Whitepaper David G. Thomson, author of the best-selling book "Blueprint to a Billion" shares his insights and actions to help propel your business during the next growth cycle. Listen Now! http://p.sf.net/sfu/SAP-dev2dev _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
