dear elaine, thanks for your prompt answer. that's enough information for me. i know that chimerax is in development and i'm currently porting my chimera1 plug-in to it. so for me the important question was: will your team implement it sooner or later or must i come up with my own solution? now i can wait for your implementation and concentrate on other things first. nevertheless i like the new chimerax, it has a clear code and the toolshed will help to get lots of plug-ins. also with pyqt and the qtcreator someone can implement complex and nice looking plug-ins very easy. in tk this was quite time consuming for chimera1. cheers, wolfgang On 01/18/2017 06:11 PM, Elaine Meng wrote:
Hi Wolfgang, We must emphasize that in no way does the lack of some important feature in ChimeraX mean that we do not plan to add it! Development is in an early stage.
Of course, writing PDB files is a very important feature that we plan to have in ChimeraX. Many important features are missing, as mentioned on the download page:
"While ChimeraX has several completely new features and other advantages, it will not substantially replace the functionality in Chimera for quite some time. It currently has a limited set of features and few user-interface dialogs; most capabilities are implemented as commands only. Missing features include distance measurements, hydrogen-bond detection, 3D labels, saving PDB files, support for docking and trajectory formats, interface to homology modeling, display of sequence annotations, and many others. Chimera capabilities grew significantly over several years, and likewise, ChimeraX will contain more and more of these important features as development proceeds.”
But then the question is “when?” I do not have a time estimate, sorry; maybe the others have something to say about it. 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 Jan 18, 2017, at 6:27 AM, Wolfgang Lugmayr <w.lugmayr@uke.de> wrote:
dear chimerax developers,
i found out, that you skipped writing pdb files and use only mmcif/pdbx.
i need to write the selected structures as pdb for the usage with the rosetta modeling software.
in chimera1 i used your save as dialog for this.
are you (or somebody else) planning to also implement a pdb file writer for chimerax?
cheers,
wolfgang
-- Universitätsklinikum Hamburg-Eppendorf (UKE) @ Centre for Structral Systems Biology (CSSB) @ Institute of Molecular Biotechnology (IMBA) Dr. Bohr-Gasse 3-7 (Room 6.14) 1030 Vienna, Austria Tel.: +43 (1) 790 44-4649 Email: w.lugmayr@uke.de http://www.cssb-hamburg.de/ -- _____________________________________________________________________ Universitätsklinikum Hamburg-Eppendorf; Körperschaft des öffentlichen Rechts; Gerichtsstand: Hamburg | www.uke.de Vorstandsmitglieder: Prof. Dr. Burkhard Göke (Vorsitzender), Prof. Dr. Dr. Uwe Koch-Gromus, Joachim Prölß, Rainer Schoppik _____________________________________________________________________ SAVE PAPER - THINK BEFORE PRINTING