From: doppelt o. <oli...@ya...> - 2006-12-18 16:01:41
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Hello,=0A=0AI've been trying to load a grd file in pymol but, it doesn't wo= rk.=0AHere is my file : test.grd=0A=0A=0A COMPLETE MINI MAP=0A(17I5) =0A2= 0.00000 1.25 1.25 90.00000 90.00000 90.00000 =0A1= 6 1 1 =0A 1 -8 8 -1 0 0 1=0A=0A=0A = -6 14 0 -24 -31 -45 -48 -16 39 102 102 18 -38 -39 -42= -43 -44=0A -31 -21 -56 -50 -30 17 103 106 107 2 -37 -32 = -29 -29 -27 -32 -36=0A -54 -54 20 95 90 74 62 11 -25 -2= 5 -39 -50 -32 -19 -44 -51 -55=0A -56 -2 81 110 54 -25 -47 = -41 -28 -33 -24 -16 -51 -42 108 215 230=0A =0A=0A=0A=0AThis is e= xactly the INSIGHTII format, can you tell me if I need to change something = or if I need to install some plugins in order for pymol to load this file ?= =0A=0Athe command I use is : =0Aload test.grd, grd=0A=0AThanks in advance,= =0A =0AOlivia Doppelt=0A=0A=0A=0A=0A=09=0A=0A=09=0A=09=09=0A_______________= ____________________________________________________________ =0AD=E9couvrez= une nouvelle fa=E7on d'obtenir des r=E9ponses =E0 toutes vos questions ! = =0AProfitez des connaissances, des opinions et des exp=E9riences des intern= autes sur Yahoo! Questions/R=E9ponses =0Ahttp://fr.answers.yahoo.com |
From: Avell D. <ave...@ya...> - 2006-12-19 09:59:44
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doppelt olivia wrote: > Hello, > > I've been trying to load a grd file in pymol but, it doesn't work. > Here is my file : test.grd > > COMPLETE MINI MAP > (17I5) > 20.00000 1.25 1.25 90.00000 90.00000 90.00000 > 16 1 1 > 1 -8 8 -1 0 0 1 > > -6 14 0 -24 -31 -45 -48 -16 39 102 102 18 -38 -39 -42 -43 -44 > -31 -21 -56 -50 -30 17 103 106 107 2 -37 -32 -29 -29 -27 -32 -36 > -54 -54 20 95 90 74 62 11 -25 -25 -39 -50 -32 -19 -44 -51 -55 > -56 -2 81 110 54 -25 -47 -41 -28 -33 -24 -16 -51 -42 108 215 230 > > > This is exactly the INSIGHTII format, can you tell me if I need to > change something or if I need to install some plugins in order for pymol > to load this file ? > Hi, last time I checked the InsightII .grd format described a fortran binary data file (see here for specs : http://www-bio.unizh.ch/docu/acc_docs/doc/delphi/E_File_Formats.html#425695 ) I can confirm that the format described in the specs is read by pymol. Seeing what your data look like, it might be easier for you to convert it to the .dx file format (cf opendx) (... a quick script should do it). The specs of the dx file format may be found here : http://opendx.sdsc.edu/docs/html/pages/usrgu068.htm#HDRXMPLES A more succinct description might be found here HIH Avell |
From: Avell D. <ave...@ya...> - 2006-12-19 10:03:03
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> > A more succinct description might be found here > I didn't copy/paste the last link ... (still the morning here) http://cholla.wustl.edu/baker/classes/nbcr/user-guide/x2686.html |