[Chimera-users] APBS mobile ion option
meng at cgl.ucsf.edu
Fri Aug 12 09:16:09 PDT 2016
Thanks to Conrad -- I’m just the messenger! :-)
On Aug 12, 2016, at 7:51 AM, Eita Sasaki <sasaki at org.chem.ethz.ch> wrote:
> Hi Elaine,
> Thank you for fixing the bug! It worked with the daily build!
> On Thu, Aug 11, 2016 at 9:36 PM, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> In case anybody else on the list was interested, this bug will be fixed in the next Chimera daily build, which should be available by tomorrow from:
> > On Aug 11, 2016, at 9:33 AM, Elaine Meng <meng at cgl.ucsf.edu> wrote:
> > Hi Eita,
> > This appears to be a bug… when I tried it I got a traceback. Normally I’d suggest you file a bug report (menu: Help… Report a Bug), but since I was able to reproduce the problem myself, I will file the report and include your email address for notification of a fix. Thanks for letting us know about the problem, and sorry for the inconvenience. Best,
> > Elaine
> > ----------
> > Elaine C. Meng, Ph.D.
> > UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
> > Department of Pharmaceutical Chemistry
> > University of California, San Francisco
> >> On Aug 11, 2016, at 6:43 AM, Eita Sasaki <sasaki at org.chem.ethz.ch> wrote:
> >> Hi,
> >> I'd like to run APBS command with mobile ions (150 mM NaCl).
> >> I tried the following command, but it did not work.
> >> apbs molecule #1 ion true _posion 1,0.15,1.16 _negion -1,0.15,1.67
> >> If I typed just "apbs molecule #1" it works (without mobile ions).
> >> I am wondering my command was perhaps wrong but don't know the right one.
> >> I hope you could help me to solve the problem
> >> Thank you in advance.
> >> Eita
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