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Armando Navarro Vazquez , Spain

Science 20 comments

Score 50.0%
Apr 08 2010
it seems that qwt5 headers are under /usr/include/qwt

define the CPLUS_INCLUDE PATH before compiling as

export CPLUS_INCLUDE_PATH=/usr/include/qwt

and it should work

I will try to improve qwt detection for next version - Apr 08 2010
Port to KDE4 is just on the way, part of the NMR stuff is partially ported. After porting the 3D stuff I will release a 0.7.0 KDE4 alpha version. - Aug 31 2009
Strange, have you tried to compile a simpler OpengL example
Nevertheless the autconf/automake stuff has been changed for 0.6.7, you can download a pre version at

If you still have problems tell me what distro are you using and I will try to prepare a binary package. - Apr 28 2008
Well, I will try to manage this Qwt problem inside the autotools stuff. Thank you for your feedback. For KDE4 KryoMol will be linked of course against Qwt 5.0 - Jan 29 2007
It seems that qwt headers are not in a standard location, which distro are you using?

So, for instance if qwt headers are under /usr/local/include

export CPLUS_INCLUDE_PATH=/usr/local/include:$CPLUS_INCLUDE_PATH

and then ./configure && make && make install

Note that some binary packages are available on the home page of the project. - Sep 11 2006
There is now new file, since KryoMol does not have an own molecular builder ( you can interface it with xdrawchem to do 2D/3D conversion but this is still in early alpha state).

Respect to the menu question I have to consider it this is the right option, since some chemistry applications prefer to register under Chemistry. Take into account that these are quite specialized applications. xdrawchem and qtiplot register under Sciences which is likely the better option. - Mar 13 2006
PDB support is not very optimal specially for biomolecules, likely I will include optional OpenBabel support for certain formats as PDB. However if you send me the file I can take a look at it. - Mar 10 2006
You need to install the qwt libraries ( It is a quite used package so surely it is already included on your distro or should be no difficult to get precompiled packages on the web. Don't forget to install also the qwt-devel package - Mar 10 2006

Utilities 25 comments

Score 63.3%
Sep 28 2010
I have found this application really useful for me. Some comments than I think can improve usability:
I have found the tooltips over rendered formula and input widgets a bit annoying. I think it would be better to have a button to request showing of a larger picture and put the input tooltip contents in a lineedit or in the WhatsThis? help. - Sep 13 2007
AutoQ3D Community

Graphic Apps 26 comments

Score 58.0%
Aug 12 2010
GPL does not mean at all, that you can get software by no money, but freedom to share information,and this is the really important point, not money. If you dont have money that is not the problem of the developer. - Jul 25 2007

Science 4 comments

Score 50.0%
Sep 25 2008
I like the nice drawing and that circle tool to choose angle between bonds. Three suggestions.

-The program should have the ability to use drawing settings from most popular chemical journals, otherwise it would be nearly useless. This is a really important thing and ANY free software chemical drawing program implements it.

-3D molecules should be handled with tracball rotation. Look at the way bkchem does it.

-It could be possible to strip the drawing code into a library ? It would be great for KDE4-edu chemical stuff. - Apr 06 2007

Science 71 comments

by beam
Score 50.0%
Nov 03 2009
In fact I used gcc 4.1.0 on a Suse 10.1 x86_64 machine - Aug 18 2006
Application does not compile with gcc 4.1.0 due to a char* to unsigned int casting.

I have to change lines 195 and 197 in the newstr.cpp file by

if ( startat > endat ) return;

seglength= endat - startat;

and then application compiles without problem - Aug 11 2006

Graphic Apps 34 comments

by irbis
Score 58.0%
Apr 16 2008
I think this is a little problem in the way kdevelop generates source packages,
I strongly suggest that before distribution you should untar the package, do a make -f Makefile.cvs on your tree and then recompress the package. NEVER, youd should assume that autoconf/automake are installed on the user system.
Wishes - Mar 23 2006
PG Calculator

Science 45 comments

Score 50.0%
Aug 10 2008
include "stdlib.h" on "pgcalc.cpp" - Apr 11 2004
I have to explicitelly include on pgcalc.cpp to compile on Suse8.2. This is a typical error I have found when developing for instance in Mandrake and trying then to compile on FreeBSD or Suse Linux. - Apr 10 2004