Problem 2581 - PDB4DNA error via the Geant4 Virtual Machine
Summary: PDB4DNA error via the Geant4 Virtual Machine
Status: NEW
Alias: None
Product: Geant4
Classification: Unclassified
Component: processes/electromagnetic/dna (show other problems)
Version: 11.1
Hardware: All All
: P4 minor
Assignee: Sebastien Incerti
URL:
Depends on:
Blocks:
 
Reported: 2023-12-13 17:08 CET by Pablo
Modified: 2023-12-27 16:02 CET (History)
0 users

See Also:


Attachments
Zip with the image (DimensionError.png) where the error that appears can be seen and the PDB file used for the study that triggers it. (74.92 KB, application/x-zip-compressed)
2023-12-13 17:08 CET, Pablo
Details

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Description Pablo 2023-12-13 17:08:11 CET
Created attachment 841 [details]
Zip with the image (DimensionError.png) where the error that appears can be seen and the PDB file used for the study that triggers it.

My name is Pablo Álvarez Rodríguez, I am from Asturias, Spain, and I am currently doing my master's thesis in Medical Physics. I would like to use Geant4 for it, and more specifically the extended included module PDB4DNA. I am currently working with the Geant4 Virtual Machine (https://geant4.lp2ib.in2p3.fr/) and I was hoping to ask you about an issue I have encountered with the PDB files. 

The attached image "DimensionError.png" shows an exception thrown by Geant4DNA GUI telling that the dimensions are too small for doing a Solid:Bounding, which I understand as a bounding of the object to simulate.
In this exception, I am loading through Geant4DNA the other attached file from the ZIP.
This 'ALA_ideal.pdb' shows the geometry of the aminoacid Alanine, which is an Alanine *.sdf file from the ProteinDataBank translated into *.pdb file via OpenBabel. The idea was simulating the same as the 1ZBB.pdb example but for  aminoacids, peptides and proteins.

I understand that aminoacids and small peptides may generate exceptions due to them being way smaller in comparison with the DNA strings such as the 1ZBB example. 
My question is if this exception could be solved and how, or I should load the aminoacids and peptides in another way if it couldn't be solved.

Thank you very much.
Comment 1 Sebastien Incerti 2023-12-20 11:11:23 CET
Maybe (?) contact developers from this page: http://pdb4dna.in2p3.fr
Comment 2 Pablo 2023-12-27 16:02:51 CET
(In reply to Sebastien Incerti from comment #1)
> Maybe (?) contact developers from this page: http://pdb4dna.in2p3.fr

I contacted them to no avail.
Sebastien, is it possible to simulate small molecules via the DetectorGeometry?