100% agreed. Eventually, as a *nice to have* feature, we can imaging having the capability of opening a SD file and have next and previous buttons to go from a molecule in the SD file to another. Far from being mandatory now I think
Hervé -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Angel Herraez Sent: jeudi 23 mars 2006 11:18 To: [email protected] Subject: RE: [Jmol-users] Support of V3000 Mol format Hello Maybe I can give a hand here with some comments and Chime experience. El 22 Mar 2006 a las 19:42, Miguel escribió: > Q: When Chime reads a 2D file does it display it using the RasMol 3D > engine? Or do they have a separate 2D renderer built into Chime? Chime has a 2D renderer (formula drawing, including wedge bonds), which can be toggled with the 3D (Rasmol) renderer, via the pop-up menu. When I open the file sent by Hervé (WO0119816T.sdf) in Chime, it shows as 2D of the fisrt molecule (cysteine). If I then manually switch to 3D, I get a 3D model with all Z coordinates as zero (which, by the way, is what you get when you open a MOL file exported from a 2D application such as ChemSketch). (I have never used V3000, only V2000.) > When Jmol opens this file it should: > > 1. read and display only the first molecular model This seems Hervé intention and, in any case, is what Chime does; no way to see the other molecules, as far as I know. > 2. read all of the atoms in all of the molecular models into the same Jmol > model and display them all at the same time ... essentially merging all of > the files together. Can't imagine the use of this. A mess of a molecule! > 3. read the molecular models independently into individual Jmol 'models' In my opinion, this might be interesting, but clearly dangerous, as I have understood that multi-model is supposed to have the same atoms in all models. In summary, I think that reading the first molecule and displaying as flat in 3D renderer is all that can be expected (as long as the mol file does not contain 3d coordinates). HTH ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd_________________________________________ ______ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------- This SF.Net email is sponsored by xPML, a groundbreaking scripting language that extends applications into web and mobile media. Attend the live webcast and join the prime developer group breaking into this new coding territory! http://sel.as-us.falkag.net/sel?cmd=lnk&kid0944&bid$1720&dat1642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
