> my two cents, > load different molecules in the same window is an important feature for > on screen comparison and alignment of 2 models. A picture of such an > alignment can be seen on the following page : http://cl.sdsc.edu/ce.html This is very helpful. Now I understand this feature and why it is important ... I am a software engineer, not a chemist :-)
> (these alignments can be computed in one nmr file, but you loose > interactivity). RasTop on windows (http://www.geneinfinity.org/rastop/), > uses the concept of "WORLD" to handle the whole scene (eg rotation, zoom > & translations). By pressing on a button, you switch between controling > the whole scene or the indivdual models. > I think that latest versions of RasMol allows to load multiple molecules > in the same window but I don't know how the different models are > handled. This function is not implemented in Chime. > In MolMol, you choose in a window the models you want to act on. > I don't know how this feature works in other programs. Those all sound like reasonable mechanisms to use to distinguish between which model you are operating on. I have added this as a feature-request to our bug database. Just to be clear ... it is currently higher priority to reach functional parity with RasMol/Chime. So 'new feature requests' are relatively low priority. > I remember that I > used once SwissProt to align two molecules and this program ownes a > wonderful feature called "magic fit", which auto-align two models. I am currently working on a 3d least-squares-fit to find the axis center of SHEET and HELIX structures. I am wondering if some variant of this might be useful to implement the 'magic fit'. Any ideas? Miguel > > Paul > > ----- Original Message ----- > From: "Miguel" <[EMAIL PROTECTED]> > To: <[EMAIL PROTECTED]> > Cc: <[EMAIL PROTECTED]> > Sent: Friday, November 07, 2003 9:05 AM > Subject: Re: [Jmol-users] several different molecules from different > files in 1 applet window > > >> > does anyone know if it is possible to load several different >> molecules from different files in 1 applet window in Jmol? >> > >> > chris harwell >> Chris, >> >> If I understand your question correctly, the answer is "No, Jmol will >> not allow you to load more than one file into the same window" >> >> I need a better picture of what you are trying to accomplish ... you >> want to load two+ files at the same time into the same window? Why? >> >> Is this not the same as merging both/all molecules into the same file? >> >> My first thought was that it would probably not be too difficult to >> implement. Then I started thinking about it a little more and I >> started coming up with problems. >> >> The fundamental issue would be positioning and behavior once the two >> files are loaded. You aren't going to get much control over the >> positions of the molecules. It would essentially combine all the >> coordinates and >> recalculate the center and scale based upon the new, larger molecule. >> In fact, just as though they came from the same file. >> >> Miguel >> >> >> >> >> >> ------------------------------------------------------- >> This SF.net email is sponsored by: SF.net Giveback Program. >> Does SourceForge.net help you be more productive? Does it >> help you create better code? SHARE THE LOVE, and help us help >> YOU! Click Here: http://sourceforge.net/donate/ >> _______________________________________________ >> Jmol-users mailing list >> [EMAIL PROTECTED] >> https://lists.sourceforge.net/lists/listinfo/jmol-users > > > > > ------------------------------------------------------- > This SF.net email is sponsored by: SF.net Giveback Program. > Does SourceForge.net help you be more productive? Does it > help you create better code? SHARE THE LOVE, and help us help > YOU! Click Here: http://sourceforge.net/donate/ > _______________________________________________ > Jmol-users mailing list > [EMAIL PROTECTED] > https://lists.sourceforge.net/lists/listinfo/jmol-users -------------------------------------------------- Miguel Howard [EMAIL PROTECTED] c/Pe�a Primera 11-13 esc dcha 6B 37002 Salamanca Espa�a Spain -------------------------------------------------- telefono casa 923 27 10 82 movil 650 52 54 58 -------------------------------------------------- To call from the US dial 9:00 am Pacific US = home 011 34 923 27 10 82 12:00 noon Eastern US = cell 011 34 650 52 54 58 6:00 pm Spain -------------------------------------------------- ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. Does SourceForge.net help you be more productive? Does it help you create better code? SHARE THE LOVE, and help us help YOU! Click Here: http://sourceforge.net/donate/ _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
