Hi guys, I got back to the script on inertia axis calculation and I had the following error when running it on the built of th 15/10/2008 on my linux box: Traceback (most recent call last): File "/home/jd/Desktop/scripts/chimera/inertia_model.py", line 73, in <module> axes, d2, center = inertia_ellipsoid(m) File "/home/jd/Desktop/scripts/chimera/inertia_model.py", line 13, in inertia_ellipsoid mass = sum(amass) TypeError: 'float' object is not callable then I just try in the python shell: i=[1,2,3] sum(i) and I have the same prob. sum(i) Traceback (most recent call last): File "<pyshell#38>", line 1, in <module> sum(i) TypeError: 'float' object is not callable Some input? all the best JD Dr. Jean-Didier Maréchal Lecturer Computational Bioorganic and Bioionorganic Chemistry @ Transmet Unitat de Química Física Departament de Química Universitat Autònoma de Barcelona Edifici C.n. 08193 Cerdanyola (Barcelona) Tel: +34.935814936 e-mail: JeanDidier.Marechal@uab.es ----- Missatge original ----- De: chimera-users-request@cgl.ucsf.edu Data: Dimecres, Març 19, 2008 8:43 pm Assumpte: Chimera-users Digest, Vol 59, Issue 19

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Today's Topics:

1. Re: Principal axis of inertia (Tom Goddard) 2. problem with 17/03 build linux 64 (Jean-Didier Mar?chal) 3. Un-tile (Jim Nettles)

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Message: 1 Date: Wed, 19 Mar 2008 12:00:33 -0700 From: Tom Goddard <goddard@cgl.ucsf.edu> Subject: Re: [Chimera-users] Principal axis of inertia To: Eric Pettersen <pett@cgl.ucsf.edu> Cc: 'Chimera BB' <chimera-users@cgl.ucsf.edu> Message-ID: <47E162D1.5070108@cgl.ucsf.edu> Content-Type: text/plain; charset="iso-8859-1"

Hi Eric,

Just ignorance -- didn't know Chimera could tell me the atomic mass. Attached is the same script only using atomic mass instead of atomic number.

Tom

Eric Pettersen wrote:

...

Just wondering why you weighted by atomic number rather than mass

...

(a.element.mass)?

--Eric