Re: [PyMOL] about Display CCP4 Maps

2011-10-26 Thread Joel Tyndall
: Re: [PyMOL] about Display CCP4 Maps On Tue, Oct 25, 2011 at 7:56 PM, Thomas Holder spel...@users.sourceforge.net wrote: Hi Lina, do you already have any electron density or reflection file (*.map, *.mtz, ...) or do you want to create a fake density from your structure? It's not I don't

[PyMOL] about Display CCP4 Maps

2011-10-25 Thread lina
Hi, I went through the pymolwiki and cross this page: http://www.pymolwiki.org/index.php/Display_CCP4_Maps I have some questions: 1] do I need generate the map from ccp4 (I have already installed the ccp4i, but seems not easy to know how to get the map) 2] For small molecular (ligand), the

Re: [PyMOL] about Display CCP4 Maps

2011-10-25 Thread Thomas Holder
Hi Lina, do you already have any electron density or reflection file (*.map, *.mtz, ...) or do you want to create a fake density from your structure? It's not clear from your question. Cheers, Thomas On 10/25/2011 10:28 AM, lina wrote: Hi, I went through the pymolwiki and cross this

Re: [PyMOL] about Display CCP4 Maps

2011-10-25 Thread lina
On Tue, Oct 25, 2011 at 7:56 PM, Thomas Holder spel...@users.sourceforge.net wrote: Hi Lina, do you already have any electron density or reflection file (*.map, *.mtz, ...) or do you want to create a fake density from your structure? It's not I don't have the reference electron density file.

Re: [PyMOL] about Display CCP4 Maps

2011-10-25 Thread Roger Rowlett
Lina, If you want to create an "omit" map for your ligand using CCP4i, you can find instructions here for both Fo-Fc and 2Fo-Fc maps: http://capsicum.colgate.edu/chwiki/tiki-index.php?page=Model+Building+and+Validation#Creating_Omit_Maps_for_Ligands_using_Refmac To display an omit map in

Re: [PyMOL] about Display CCP4 Maps

2011-10-25 Thread Thomas Holder
On 10/25/2011 02:27 PM, lina wrote: On Tue, Oct 25, 2011 at 7:56 PM, Thomas Holder spel...@users.sourceforge.net wrote: Hi Lina, do you already have any electron density or reflection file (*.map, *.mtz, ...) or do you want to create a fake density from your structure? It's not I don't

Re: [PyMOL] about Display CCP4 Maps

2011-10-25 Thread Thomas Holder
And read the help for the map_new command (there is no wiki page yet): PyMOLhelp map_new now the wiki page is there: http://pymolwiki.org/index.php/Map_new Cheers, Thomas -- Thomas Holder MPI for Developmental Biology

[PyMOL] about Display CCP4 Maps

2011-10-25 Thread Jason Vertrees
Hi Lina, 1] do I need generate the map from ccp4 (I have already installed the ccp4i, but seems not easy to know how to get the map) The CCP4 file is a map. Once the map is loaded into PyMOL you can choose how you want to represent the data: isomesh, isosurface, slice, gradient, or the new

Re: [PyMOL] about Display CCP4 Maps

2011-10-25 Thread lina
On Wednesday 26,October,2011 12:55 AM, Jason Vertrees wrote: Hi Lina, 1] do I need generate the map from ccp4 (I have already installed the ccp4i, but seems not easy to know how to get the map) The CCP4 file is a map. Once the map is loaded into PyMOL you can choose how you