Thanks a lot! I checked the original PDB file and modified PDB file, and find that the modified file by Chainsaw has a pseudo header information generated by Chainsaw program but not the crystal information. So I copy the header information to the new file, and it works. I also tried your advice, and it works too. I consider that our methods are same, but maybe yours can be more general....
-- Tong Huo Ph.D candidate College of Life Sciences Nankai University Tianjin, China At 2011-12-22 18:13:06,"Eleanor Dodson" <[email protected]> wrote: >Usually the output of chainsaw is used as the input for MR - and the MR >search will add the crystal information. If you are sure your model is >correctly placed in your cell you can use pdbset with keyword cell a b c >etc and that will outtput CRYST1 and SCALE cards. > >Eleanor > > >On 12/22/2011 08:44 AM, SUBSCRIBE CCP4BB Huo tong wrote: >> Hello everyone: >> I am dealing with a MR issue. To modify the model to my own target protein, >> I use the program Chainsaw provided in the CCP4 suite instead of manually >> mutating the residues one by one. After that, I want to run the Refmac5, but >> the program failed with the info: >> >> Input coordinate does not have CRYST card >> Check the input coordinate file >> ===> Error: Input coordinate file is not complete >> >> I wonder if the output file of the Chainsaw can be the input of other >> programs like Refmac5, or if the Chainsaw changes the file properties which >> leads to be an incomplete file. >> >> I am looking forward to any advices!
