I just refreshed my Jmol version, to no avail. See attached for one example
of a file that doesn't work (although none work for me right now; at least
none that I've created with WebMO <http://www.webmo.net/>).
Cheers, Mike
On Wed, Jun 22, 2011 at 1:37 AM, Robert Hanson <[email protected]> wrote:
> They won't work if your data does not have occupancy information. Please
> check the latest version, and/or send me the offending file so I can check
> it out.
>
> On Mon, Jun 20, 2011 at 5:53 PM, Michael Evans <[email protected]>wrote:
>
>> Lords & lasses of Jmol—in several versions of Jmol 12.0 (at least since
>> .34), the "mo homo" and "mo lumo" commands don't seem to be working. The
>> documentation seems to suggest they still should. Bug here? Could someone
>> test this to see if I'm the only one having this issue?
>>
>> Cheers, Mike
>>
>> --
>> Mike Evans
>> Organic Chemistry Graduate Student
>> Moore Group
>> University of Illinois, Urbana-Champaign
>>
>>
>> ------------------------------------------------------------------------------
>> EditLive Enterprise is the world's most technically advanced content
>> authoring tool. Experience the power of Track Changes, Inline Image
>> Editing and ensure content is compliant with Accessibility Checking.
>> http://p.sf.net/sfu/ephox-dev2dev
>> _______________________________________________
>> Jmol-users mailing list
>> [email protected]
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
> ------------------------------------------------------------------------------
> Simplify data backup and recovery for your virtual environment with
> vRanger.
> Installation's a snap, and flexible recovery options mean your data is
> safe,
> secure and there when you need it. Data protection magic?
> Nope - It's vRanger. Get your free trial download today.
> http://p.sf.net/sfu/quest-sfdev2dev
> _______________________________________________
> Jmol-users mailing list
> [email protected]
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
--
Mike Evans
Organic Chemistry Graduate Student
Moore Group
University of Illinois, Urbana-Champaign
[HEADER]
Version 2
Type UNIVERSAL
DefaultType MO 9
ValenceOnly TRUE
EnergyUnits HARTREE
[ATOMS]
16 0 0 0
8 2.76595970648207 0 0
8 -1.34698505019948 2.41578820520501 0
[BONDS]
2 1 2
1 3 1
[STO]
1 0 0 0 2 1.891185 1.10637709530662
1 1 0 0 1 1.658972 1.21151527895577
1 0 1 0 1 1.658972 1.21151527895577
1 0 0 1 1 1.658972 1.21151527895577
2 0 0 0 1 3.796544 9.14820421114255
2 1 0 0 0 2.389402 4.97904312820751
2 0 1 0 0 2.389402 4.97904312820751
2 0 0 1 0 2.389402 4.97904312820751
3 0 0 0 1 3.796544 9.14820421114255
3 1 0 0 0 2.389402 4.97904312820751
3 0 1 0 0 2.389402 4.97904312820751
3 0 0 1 0 2.389402 4.97904312820751
[MO1]
-37.551
2
1 -0.361967576912687
2 -0.0890108252180763
3 -0.151603468171057
4 3.8624187649307e-15
5 -0.545269376182472
6 0.104672166826941
7 -0.0204892755844904
8 4.69288221408105e-15
9 -0.545411736833502
10 -0.068877285567013
11 0.0814642789936161
12 4.37025864169186e-15
[MO2]
-36.377
2
1 -4.23605754252317e-05
2 -0.222943043886128
3 0.13092486727954
4 -2.519105258864e-16
5 -0.610218598127626
6 0.0866748033977096
7 0.0188140211946811
8 -2.41546024174744e-15
9 0.610087961115315
10 0.0257608384309185
11 -0.0848461095010319
12 2.87272865372802e-15
[MO3]
-21.328
2
1 0.656418032812003
2 0.0330542277414385
3 0.0562751620359262
4 6.62780291342127e-15
5 -0.426128023313266
6 -0.309163508338994
7 0.0135036161540141
8 -2.03190611637686e-15
9 -0.426132758076417
10 0.162358512764494
11 -0.26345585334676
12 -1.19912699670317e-15
[MO4]
-16.615
2
1 3.11844613731099e-06
2 -0.377557945325486
3 0.221739347222025
4 2.69877851691715e-15
5 0.306563436356196
6 0.476251306011742
7 0.204874492929655
8 7.2626507030314e-15
9 -0.30655266399534
10 0.0529511749981895
11 -0.515752372743619
12 -1.02310767457035e-15
[MO5]
-16.486
2
1 -5.30192201456712e-15
2 -2.81211311089519e-15
3 -5.31806269501814e-15
4 0.606781246750217
5 -5.14797679108437e-15
6 -1.0091523484021e-14
7 -6.70160076936926e-15
8 0.471849685792035
9 -2.3477057775327e-15
10 -5.13707495952309e-15
11 -3.34308944598126e-15
12 0.471870065506465
[MO6]
-15.823
2
1 -0.25876427572793
2 0.254724872963095
3 0.433712051420498
4 -2.10093006793064e-15
5 -0.0918453122265128
6 -0.0804187708077332
7 0.506797761376131
8 -3.83857449494761e-15
9 -0.0918716677754745
10 0.481832344757952
11 0.176527018491567
12 -2.54667837439549e-15
[MO7]
-12.638
2
1 1.50920357290703e-06
2 -0.0775801923659408
3 0.045556341151282
4 -1.63353772196577e-15
5 0.0465809668248679
6 0.226273193495166
7 -0.670749722004903
8 -2.38109394620711e-15
9 -0.0465765478172429
10 0.696013174268911
11 0.129014814473942
12 1.42530523597921e-15
[MO8]
-12.023
2
1 -2.26227016614744e-16
2 -3.75291464683153e-16
3 -8.88935237178581e-16
4 -8.62016420303396e-06
5 -3.4514971676289e-15
6 -3.32018875511677e-15
7 -4.30062644488482e-15
8 -0.707763159694652
9 3.81476516904904e-15
10 4.82194884360074e-15
11 3.92366773938968e-15
12 0.707746703003631
[MO9]
-10.251
2
1 -0.53551310838979
2 0.240910033709006
3 0.410146420513211
4 6.17688487508412e-15
5 0.00733172944199139
6 -0.39358095931894
7 -0.438912938305258
8 2.66981668949292e-15
9 0.00733558065797057
10 -0.19168084074998
11 -0.557500947912823
12 3.92568825054532e-15
[MO10]
-1.762
0
1 6.73151638006408e-15
2 7.14344298629894e-15
3 7.60444234907696e-15
4 0.828980860062941
5 -3.86432038559949e-15
6 6.41096239635377e-16
7 -3.20892291535569e-15
8 -0.5514323888576
9 -2.94153045170832e-15
10 -3.98526627837913e-15
11 -1.42599647398037e-15
12 -0.551437192449602
[MO11]
1.061
0
1 0.521368375864798
2 0.400936203955297
3 0.682621205095323
4 4.66476748594287e-15
5 -0.260894312679106
6 0.558488959810505
7 -0.263002814415509
8 -7.3845158925183e-15
9 -0.260905665463561
10 -0.501690704006507
11 0.35971356692567
12 -9.55262786240974e-15
[MO12]
2.438
0
1 -6.12920388727567e-07
2 -0.875167747186223
3 0.514038187299292
4 7.11298232278688e-16
5 0.326968570833721
6 -0.534265257010589
7 -0.137277978027468
8 1.65439895448823e-15
9 -0.326971485861769
10 -0.140272597178046
11 0.533477495498524
12 3.965781947628e-15
------------------------------------------------------------------------------
Simplify data backup and recovery for your virtual environment with vRanger.
Installation's a snap, and flexible recovery options mean your data is safe,
secure and there when you need it. Data protection magic?
Nope - It's vRanger. Get your free trial download today.
http://p.sf.net/sfu/quest-sfdev2dev
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
