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August 25, 2019

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WebMO Support Forum » Feature Requests » Feature Enhancements « Previous Next »

Author Message
Jonathan Bohmann
Posted on Monday, April 23, 2001 - 4:05 pm:   

How about providing a way (button, menu item) in the structure editor to draw a phenyl ring? This could be under the Build menu.
William Polik (Polik)
Posted on Tuesday, April 24, 2001 - 10:11 am:   

This is a very good idea, of course. To effectively implement it would require that the WebMO editor be able to rotate and translate substructures of the displayed molecule, which is a feature under consideration.
William Polik (Polik)
Posted on Monday, March 11, 2002 - 1:38 pm:   

This request has been available since version 2.2 of WebMO, released on May 14, 2001.

The WebMO Editor has a Fragment Library, which permits insertion of pre-defined fragments into the molecule being built. Fragments can be translated/rotated into position relative to the rest of the molecule, and then bonded to the molecule.

The Fragment Library can be extended by the WebMO administrator by adding entries to the cgi-bin/webmo/interfaces/fragments.txt file.
Robert Lancashire
Posted on Wednesday, December 04, 2002 - 4:35 pm:   

Is it possible to add an export feature
for the calculated IR and Vis spectra
as JCAMP-DX files.
It needs only a few lines of Header
then the X,Y pairs could be added
without compression then an ##END=
statement.
Paul Siders
Posted on Monday, March 01, 2004 - 9:59 am:   

It would be nice to have DFT available on the
menu of GAMESS options, with a sub-menu allowing
selection of the DFTTYP.
Paul Siders
Posted on Wednesday, April 07, 2004 - 1:12 pm:   

When restarting a job it would be helpful if
the job options were read from the job that
is being restarted. It would just save a bit
of typing in repetitious jobs.
Eric Bittner
Posted on Wednesday, March 01, 2006 - 9:58 pm:   

I second Paul Siders' Request from 07-April-04!

Along the same lines, it would be
awesome from an organizational point of view if one could have "threads" of jobs listed on the job-manager page along with
a comment string or a popup comment box.
Cu Phung
Unregistered guest
Posted on Thursday, November 05, 2015 - 9:55 am:   

For the WebMO app (IOS and Android), please add the capability to import structure locally or from the cloud like dropbox or google drive.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 479
Registered: 11-2006
Posted on Thursday, November 05, 2015 - 10:07 am:   

Note that one simply way of importing structure is from an email attachment. Click the attachment and select to open via the WebMO App.
Cu Phung
Unregistered guest
Posted on Thursday, November 05, 2015 - 10:08 am:   

When I try to put 2 jobs running GAMESS, the later one fails due to name conflict. I can however run 2 jobs for Gaussian, or ORCA concurrently. I have attached the fail output. Is there anyway to go around it. Thanks!
text/plainFail GAMESS output
output39.txt (6.4 k)
JR Schmidt
Moderator
Username: Schmidt

Post Number: 480
Registered: 11-2006
Posted on Thursday, November 05, 2015 - 10:16 am:   

This is somewhat of a limitation regarding how GAMESS is setup to run on Windows. You might consider Firefly (formerly PC-GAMESS) which is a GAMESS derivative that is optimized for running on Windows. WebMO supports Firefly as well, and the syntax / output / most common features are basically identical.

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