Dear all, I have this (3.0 A) structure that has 8 molecules per ASU - Phaser was able to find 7 molecules correctly, but not the last one, as indicated by the .sol file (TFZ=5.1) below and the resultant density map. I tried to delete the entry of the last molecule and give the truncated .sol file for another round of MR but Phaser returned with the same solution that has the 8th molecule misplaced. I am tempted to place the 8th molecule by hand but before that would like to learn from you a better way of handling it. One thing I could think of is to refine/rebuild the partial structure with the 7 molecules so as to resolve any potential packing clashes due to model/structure variations and then let Phaser find/position the 8th one for me, but it appears that Phaser doesn't accept .pdb file for a "MR with partial solution" routine? Thank you, Jacob
# [No title given] SPACEGROUP P 21 21 21 SOLU SET RFZ=3.7 TFZ=8.2 PAK=0 LLG=78 RFZ=3.7 TFZ=16.0 PAK=0 LLG=248 TFZ==17.2 RFZ=3.7 TFZ=17.8 PAK=0 LLG=463 TFZ==19.7 RFZ=2.9 TFZ=23.0 PAK=0 LLG=765 TFZ==23.2 RFZ=2.8 TFZ=28.6 PAK=0 LLG=1201 TFZ==30.0 RFZ=3.9 TFZ=23.1 PAK=0 LLG=1537 TFZ==24.3 RFZ=2.6 TFZ=19.5 PAK=1 LLG=2096 TFZ==32.1 RFZ=3.0 TFZ=5.1 PAK=1 LLG=1945 TFZ==7.0 SOLU 6DIM ENSE ensemble1 EULER 333.533 143.979 14.880 FRAC -0.30547 0.22985 -0.12420 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 287.095 31.031 200.132 FRAC -0.01202 0.48107 -0.12591 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 220.563 33.756 203.275 FRAC -0.33196 0.18927 -0.27514 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 125.978 23.511 167.527 FRAC 0.36411 -0.45096 -0.17121 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 148.925 162.593 356.498 FRAC -0.41711 -0.09462 -0.07282 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 323.033 34.903 192.073 FRAC -0.53201 -0.04754 -0.02533 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 113.904 157.019 345.596 FRAC 0.09892 -0.60041 -0.17986 BFAC 0.00000 SOLU 6DIM ENSE ensemble1 EULER 79.967 95.631 1.727 FRAC -0.41239 0.07915 -0.05760 BFAC 0.00000
