The basic program output consists of two maps : the conventional synthesis (file conventional.map) and the MaxEnt synthesis (file maxent.map). The program can output maps in three formats : binary CCP4 map files, ascii CCP4 map files (NA4) which can be converted to binary files with the CCP4 program maptona4, and simple ASCII files for the non-CCP4 users. This last ``format'' is purposedly as structure-less as possible : the map is given as successive sections separated by a blank line with individual values scaled to a maximum of 999.0. Hopefully, this can be transported to numerous other programs with minimal user intervention.
-101.356 -93.902 -73.867 -45.791 -12.287 ........... 26.791 -12.532 -45.979 -73.995 -93.967 -95.929 -85.706 -59.859 -28.781 -0.416 ........... 24.285 -0.661 -28.970 -59.988 -85.771 -58.698 -48.410 -23.921 0.885 15.397 ........... 19.480 15.152 0.696 -24.049 -48.475 .................................................................................................... .................................................................................................... 58.074 39.867 -5.397 -53.678 -77.325 ........... -58.833 -77.571 -53.867 -5.526 39.803 -7.705 -15.480 -33.664 -48.621 -44.073 ........... -9.892 -44.319 -48.810 -33.792 -15.545 -68.427 -67.131 -62.155 -49.809 -24.415 ........... 17.952 -24.661 -49.998 -62.283 -67.196 -103.449 -119.073 -102.959 -58.338 -2.439 ........... 11.988 -10.371 -21.613 -39.107 -69.976 -96.769 -118.809 -104.169 -59.655 -7.288 ........... 15.538 12.007 9.218 -11.334 -52.477 -59.809 -87.093 -77.942 -40.976 -0.372 ........... 10.221 30.511 44.319 30.797 -11.023 .................................................................................................... .................................................................................................... 45.125 35.353 12.693 -4.512 -4.562 ........... -102.067 -116.048 -80.695 -22.341 26.209 -16.466 -24.609 -27.901 -16.405 10.548 ........... -46.626 -72.990 -62.263 -36.176 -17.877 -73.315 -83.683 -73.321 -39.784 7.460 ........... -7.622 -37.973 -44.584 -45.890 -55.999 -121.906 -163.951 -138.990 -60.994 19.728 ........... 8.199 19.824 35.737 18.103 -44.381 -107.299 -166.345 -154.607 -83.936 -5.668 ........... 0.903 35.736 68.483 55.700 -14.293 -71.070 -141.078 -141.586 -81.543 -11.144 ........... -21.129 39.113 93.862 94.527 27.649 ....................................................................................................
Map format defaults : Please note the following about format availability : the ASCII and NA4 map formats are always available (even if you compiled the program without the CCP4 library). The binary CCP4 map files are only available for executables that were prepared with CCP4 support (ie linked with the CCP4 library).
If GraphEnt was compiled without the CCP4 library, then the default output map format is ASCII. The way to produce a NA4 map file (which can then be converted to binary CCP4 map files), is to let GraphEnt start the actual calculation, then stop it (with <CTRL-C>), edit the MAXENT_AUTO.IN file and change the MAP keyword from ASCII to NA4. Then run GraphEnt again by giving GraphEnt MAXENT_AUTO.IN
If GraphEnt was compiled without the CCP4 library but CCP4 output is requested, the program will write out a NA4 map file.