Dear all I am sorry that I have posted the same question in March 11, 2011. However, unfortunately, the mail sever suffered extensive damage from a major earthquake. Thus I did not receive the answers, suggestions, or advices at that time. Please give me any suggestions, again. The questions are as follows:
We are trying to combine a protein crystallography with computational chemistry for a metalloprotein. Does anyone know whether it would be possible to convert a ccp4 electron density map to an electron density plot in a format of a 'cube' file as in http://www.gaussian.com/g_tech/g_ur/u_cubegen.htm that we could easily convert to a constrain definition for the optimization? Alternatively, providing a method to make a long list of x,y,z coordinates (e.g. divided by each 0.005 A) around the protein structure and the magnitude of the electron density at the given point would be very valuable. Please let me know if this is possible. It would help our calculations enormously. Best regards ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Masaki UNNO, Ph.D. Frotier Research Center for Applied Atomic Sciences, Ibaraki University Ibaraki Quantum Beam Research Center 162-1 Tokai, Shirakata, Naka, Ibaraki 319-1106, Japan Tel: 029-352-3239, Fax: 029-287-7872 E-mail: unn...@mx.ibaraki.ac.jp http://www.fas.ibaraki.ac.jp/?page_id=961 ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
