Hello list,
I am very new to IMP, thus probably coming with a bunch of fairly naive question.
Today I am wondering if it is possible to combine Selectors in order, for instance to select only ATOMS of chain A from a pdb file. If this is not directly possible what would you suggest to achieve the task ?
thanks a lot for any time spent to answer me
--Ben
There is no mechanism at the moment, but it is quite easy to implement and it has been on the todo list for a bit. Are you building IMP from source or using a pre-built IMP? If the former, then I can send a patch, if the latter, then we will have to figure out something. Unfortunately, the Selectors aren't properly exposed to python, so we must provide C++ code.
The other, slightly more painful option, is you can always go through the returned atom.Hierarchy and remove atoms that you don't want. Make sense?
--Daniel
On Jul 15, 2010, at 6:29 AM, Benjamin SCHWARZ wrote:
> Hello list, > > I am very new to IMP, thus probably coming with a bunch of fairly naive question. > > Today I am wondering if it is possible to combine Selectors in order, for instance to select only ATOMS of chain A from a pdb file. If this is not directly possible what would you suggest to achieve the task ? > > thanks a lot for any time spent to answer me > > --Ben > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users
Thanks a lot for the quick answer.
> There is no mechanism at the moment, but it is quite easy to implement and it has been on the todo list for a bit. Are you building IMP from source or using a pre-built IMP? If the former, then I can send a patch, if the latter, then we will have to figure out something. Unfortunately, the Selectors aren't properly exposed to python, so we must provide C++ code.
Since I am new to IMP as well as to the problematic it is designed for, I figured out I should start with a high level point of view. Thus : binary install on MAC, and only python access. I will probably switch to a source installation sooner or later.
> The other, slightly more painful option, is you can always go through the returned atom.Hierarchy and remove atoms that you don't want. Make sense?
OK, that was my intuition.
By the way, would you be interested in any testimony with regard to IMP installation ? If so, I could open a thread here just for that.
--Ben
Le 15 juil. 2010 à 17:05, Daniel Russel a écrit :
> > > --Daniel > > > On Jul 15, 2010, at 6:29 AM, Benjamin SCHWARZ wrote: > >> Hello list, >> >> I am very new to IMP, thus probably coming with a bunch of fairly naive question. >> >> Today I am wondering if it is possible to combine Selectors in order, for instance to select only ATOMS of chain A from a pdb file. If this is not directly possible what would you suggest to achieve the task ? >> >> thanks a lot for any time spent to answer me >> >> --Ben >> _______________________________________________ >> IMP-users mailing list >> IMP-users@salilab.org >> https://salilab.org/mailman/listinfo/imp-users > > > _______________________________________________ > IMP-users mailing list > IMP-users@salilab.org > https://salilab.org/mailman/listinfo/imp-users
> >> The other, slightly more painful option, is you can always go through the returned atom.Hierarchy and remove atoms that you don't want. Make sense? > > OK, that was my intuition. > > By the way, would you be interested in any testimony with regard to IMP installation ? If so, I could open a thread here just for that. Of course, please do.
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Benjamin SCHWARZ -
Daniel Russel