Re: [Jmol-users] Drag

2015-05-07 Thread Otis Rothenberger
I was absolutely amazed when it came into existence. That’s why I wrote the note about a year ago. It seemed too good to be true! Otis > On May 7, 2015, at 5:27 PM, Robert Hanson wrote: > > Ah, yes, > > set picking dragMolecule > > is very nice. > > left-drag --> move molecules > > set

Re: [Jmol-users] Drag

2015-05-07 Thread Robert Hanson
Ah, yes, set picking dragMolecule is very nice. left-drag --> move molecules *set picking dragmolecule* left-drag --> rotate molecule *set allowrotateselectedunbind "_dragAtom" // was left+dragunbind "_rotateSelected" // was alt+left+dragbind "left+drag" _rotateSelected // now

Re: [Jmol-users] Drag

2015-05-07 Thread Otis Rothenberger
Bob, I have not tried this yet, but just so I understand: 1) There is no dragmolecule any longer? 2) If I have three molecules in the window, the approach below requires exclusive selection of the clicked model to be dragselected? This is not a big deal, but dragmolecule covered you on this po

Re: [Jmol-users] Drag

2015-05-07 Thread Robert Hanson
Otis, I think what you want is: left-drag --> move atoms *set picking dragselected* left-drag --> rotate molecule *set allowrotateselectedunbind "_dragAtom" // was left+dragunbind "_rotateSelected" // was alt+left+dragbind "left+drag" _rotateSelected // now left+drag* clear all t

[Jmol-users] Drag

2015-05-07 Thread Otis Rothenberger
Bob, About a year ago, I posted a note about two lines of code that I use to allow model translation and rotation without the key modification. I was concerned about future breaking of the code. This is for use on tablets: 1) CLICK/DRAG TRANSLATES: set picking off; set picking ON; set atomPick

[Jmol-users] jmol-14.3.13_2015.05.07.zip

2015-05-07 Thread Robert Hanson
http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.13_2015.05.07.zip Jmol.___JmolVersion="14.3.13_2015.05.07" bug fix: isolated bio groups such as AMP, which are not part of biopolymers, can result in crashes when colored or queried about their parameters (Hiroufmi Suzuki) bug fix: new SQL *

Re: [Jmol-users] How to select atoms outside of a regional?

2015-05-07 Thread Robert Hanson
Max, That is exactly how you do it. So I am guessing that you have one or more of your planes defined backwards. Winding is important here. Test your planes one at a time and try +/-20 in each case. Once you have each plane working, it should work. It is convenient to use the ON keyword here so

Re: [Jmol-users] SQL syntax for two-dimensional associative arrays

2015-05-07 Thread Robert Hanson
Ah, yes! I see that. Fixed. Standby... On Thu, May 7, 2015 at 5:16 AM, Rolf Huehne wrote: > On 05/07/2015 05:11 AM, Robert Hanson wrote: > > Jmol.___JmolVersion="14.3.13_2015.05.06" > > > > http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.13_2015.05.06.zip > > > > new feature: "drilling" in associa

Re: [Jmol-users] freeze by "color monomer"

2015-05-07 Thread Robert Hanson
Indeed. Thank for this, Hiroufmi. I will upload a version with that fix to http://chemapps.stolaf.edu/jmol/zip later today. On Thu, May 7, 2015 at 5:41 AM, Hiroufmi Suzuki wrote: > Hi All > > Jmol freezes by this command. > load "http://www.rcsb.org/pdb/files/2WEF.cif.gz";; color monomer;

[Jmol-users] freeze by "color monomer"

2015-05-07 Thread Hiroufmi Suzuki
Hi All Jmol freezes by this command. load "http://www.rcsb.org/pdb/files/2WEF.cif.gz";; color monomer; Coloring by "monomer" for mmCIF data including some ligands probably make problems. ATP (e.g. PDB-1a0i, 1a49, 1a5u ...) AMP (12as, 1aer, 1am0 ...) some saccharide (1ax0, 1bch, 1d0h ...) Pla

Re: [Jmol-users] SQL syntax for two-dimensional associative arrays

2015-05-07 Thread Rolf Huehne
On 05/07/2015 05:11 AM, Robert Hanson wrote: > Jmol.___JmolVersion="14.3.13_2015.05.06" > > http://chemapps.stolaf.edu/jmol/zip/jmol-14.3.13_2015.05.06.zip > > new feature: "drilling" in associative arrays for sub arrays with a given > property (Rolf Huehne) > -- uses "**" as the SELECT option,