[Rdkit-discuss] Hotels for 6th RDKit UGM 2017 in Berlin

2017-03-20 Thread Volkamer, Andrea
Dear all,



we just heard that the Berlin marathon and German elections are on the Sunday 
after the RDKit UGM (20-22 September 2017). Thus, we recommend you start 
booking your hotel rooms as soon as possible.



For clarity: The first 2 days of the UGM will take place at Freie Universität 
in Dahlem (Institut für Pharmazie, Königin-Luise-Straße 2-4, 14195 Berlin), the 
last day at Charité in Mitte (Institut für Physiologie, Virchowweg 6, 10115 
Berlin).

The two locations are roughly 30 minutes by train (S-Bahn, e.g. S1) away from 
each other.



Here are some hotel suggestions:



Hotels near Campus Dahlem (Freie Universität (FU)):

- Seminaris Campus Hotel of FU 
http://www.seminaris.de/hotels/seminaris-campushotel-berlin.html

  -> Ask for FU rate (Host Gerhard Wolber), a limited number of discounted 
rooms is available

- Hotel Steglitz International  (www.si-hotel.com)

- Hotel Ravenna Berlin (https://www.novum-hotels.de/hotel-ravenna-berlin)


Hotels near Campus Mitte (Charité):

- Motel One (Main Station) 
https://www.motel-one.com/de/hotels/berlin/hotel-berlin-hauptbahnhof/

- Motel One (Hackescher Markt) 
https://www.motel-one.com/de/hotels/berlin/hotel-berlin-hackescher-mar

- Ibis Style (Alexanderplatz) 
http://www.accorhotels.com/de/hotel-7956-ibis-styles-berlin-alexanderp
For those who didn't register yet, don't hesitate to do so: 
https://www.eventbrite.com/e/6th-rdkit-ugm-2017-tickets-32526309066
Best,
Gerhard and Andrea

-

JProf. Dr. Andrea Volkamer

In-silico Toxicology Group
Institute of Physiology, Charité Universitätsmedizin Berlin

Campus Mitte: Virchowweg 6, 10117 Berlin
Campus Buch: Lindenberger Weg 80, 13125 Berlin

Phone: +49 30 450 - 528 554 / - 540 225
E-Mail: andrea.volka...@charite.de

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[Rdkit-discuss] Sanifix and C++/Java?

2017-03-20 Thread James Wallace
I've been trying to resolve some issues we seem to be having with
sanitization of molecules in the Java/KNIME runtime, and I have the
sanifix4 python script, but I'm not sure all the functions that it's based
off are available in the C/Java build. Is there an equivalent for those, or
is there some way by which I can use these in the build without complex
transliteration?
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