On 13.02.2012 20:27, Jason Vertrees wrote: > Greetings, > > It is my pleasure to announce the release of open source PyMOL > v1.5.0.1. The source code has been committed to the open-source > repository. It is revision 3976. An svn tag and downloadable bz2 > source file were also created. All of this is accessible form the > PyMOL project page on SourceForge > (http://sourceforge.net/projects/pymol/). > > Before upgrading PyMOL -- please -- upgrade your video drivers! NVidia > and AMD/ATI cards are known to work well. But, Intel Mobile and other > low-end cards might have issues with the new rendering. The majority > of rendering anomalies are fixed by simply upgrading your video > drivers. > > You should be able to pull and build just like normal. You will need Python > 2.7. > > Some simple testing on my Linux machine shows the following > improvements in real-time rendering performance for a large protein > (58,000 atom Gro-EL, PDB 1AON) with the new open-source PyMOL code: > > Lines: > 240% increase (81 FPS to 270 FPS) > Spheres: > 864% increase (28 FPS to 270 FPS) > Sticks: > 2100% increase (8 FPS to 180 FPS) > Cartoon: > 3757% increase (27 to 270 FPS) > Surface: > 2600% increase (10 to 270 FPS) > Mesh: > 33% (180 FPS to 270 FPS) > > Your numbers will be different. This Linux machine has a powerful card > used for development > (http://www.amd.com/us/products/workstation/graphics/ati-firepro-3d/v8800/Pages/v8800.aspx). > It was generously donated by AMD. If you use an AMD/ATI card and PyMOL > works for you it's because AMD/ATI helped out. You may want to thank > them. What I've seen is that the more powerful your card the greater > the _difference_ in speed. That is, low-end cards should see > improvements in the range of tens to hundreds of percent while more > powerful cards should register improvements like mine, in the > thousands of percent for some representations. > > To quickly test performance of the new code on your machine just load > a large structure (eg. 1AON; 3R8O and 3R8T) and quickly > rotate/translate it. To see the refresh rate, type "set > show_frame_rate". The refresh rate shows up in the lower right hand > corner. Compare the frame rate, smoothness, and rendering quality when > the setting "use_shaders" is turned off and when it's turned on. > Compare different representations, each time turning on and off the > "use_shaders" setting. > > You can quickly update old PyMOL session files to the new rendering by > clicking, Settings > Rendering > Modernize after loading the old > session file. PyMOL will flip all the right settings to update > rendering. If the new code doesn't render properly, you can revert to > the old style rendering by typing: > > set use_shaders, 0 > > set sphere_mode, 0 > > > Please let us know how it goes. > > Cheers, > > -- Jason, Blaine & the PyMOL Team >
Hi Jason, thanks for the work. I cannot compile the molfile support: x86_64-pc-linux-gnu-gcc -pthread -Ofast -pipe -ftracer -march=corei7-avx -mtune=corei7-avx -mcx16 -msahf -mno-movbe -maes -mpclmul -mpopcnt -mno-abm -mno-lwp -mno-fma -mno-fma4 -mno-xop -mno-bmi -mno-tbm -mavx -msse4.2 -msse4.1 --param l1-cache-size=32 --param l1-cache-line-size=64 --param l2-cache-size=8192 -frecord-gcc-switches -g -funroll-loops -Wimplicit-function-declaration -fPIC -D_PYMOL_MODULE -D_PYMOL_INLINE -D_PYMOL_FREETYPE -D_PYMOL_LIBPNG -D_PYMOL_OPENGL_SHADERS -D_PYMOL_VMD_PLUGINS -D_PYMOL_CGO_DRAWARRAYS -D_PYMOL_CGO_DRAWBUFFERS -D_CGO_DRAWARRAYS -D_PYMOL_GL_CALLLISTS -DOPENGL_ES_2 -Iov/src -Ilayer0 -Ilayer1 -Ilayer2 -Ilayer3 -Ilayer4 -Ilayer5 -I/usr/include/freetype2 -Icontrib/uiuc/plugins/include -Icontrib/uiuc/plugins/molfile_plugin/src -Imodules/cealign/src -Imodules/cealign/src/tnt -Igenerated/include -Igenerated/src -I/usr/include/python2.7 -c contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.c -o build-2.7/temp.linux-x86_64-2.7/contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.o contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.c: In function ‘read_basis_metadata’: contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.c:208:11: error: ‘molfile_qm_metadata_t’ has no member named ‘have_esp’ contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.c:209:11: error: ‘molfile_qm_metadata_t’ has no member named ‘have_npa’ contrib/uiuc/plugins/molfile_plugin/src/basissetplugin.c:211:11: error: ‘molfile_qm_metadata_t’ has no member named ‘have_internals’ error: command 'x86_64-pc-linux-gnu-gcc' failed with exit status 1 Thanks, justin
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