I'm not sure how you ended up with all those Mets labeled like this, but the sulfur in Methionine is SD, not S. ATOM 2267 SD MET A 289 -8.619 2.711 -11.138 1.00 81.12 Fix the atom name (keep the S in the same column) and you should be OK. Phil Jeffrey Princeton On 3/8/22 2:37 PM, Abhipsa Shatarupa wrote:
Hello,
I am a beginner in phenix. Currently, I am running minimization global under real-space refinement. The input files for this job are a .pdb file generated from rigid-body refinement and a .ccp4 map. I end up receiving the following error message (image attached -Error file). The output log file gives me the description of the number of atoms and the atoms responsible for generating the error (image attached – atoms file).
I ended up finding a couple of Q/A on a similar error message, but I am not sure how to generate the CIF file to overcome the problem using eLBOW?
Could someone please help me resolve this issue?
Thanks in advance,
Abhipsa
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