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obsolete: 6H0 QNL QZS R5B updated: 0TJ 2N2 2UC 4M9 56J 5VV 6KB 7YO 9AC 9RI 9YP AS1 AXI C12 C2K CFD CR0 CRK DUG EX8 HHC KTO LTE M9W MAZ NEH O0B O4Q O6H ORT PX1 PXA PXF PXZ Q2E QCL QCN QDD QOL QQ8 QQB QUJ QUK QVS RFQ RNG S7Z SJW TA2 V7P XX2 XY5 ZAS ZNB ZRY ZXW charge -1 trick applied to XX2 C2 and RFQ N27
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Note to self: An issue was found with the 7YO case: Acedrg 314 added an unnecessary hydrogen atom. Fei has already fixed it, and I'm waiting for the updated program. |
reflecting new changes in CCD obsolete: ONO updated: 2MA CFX X92
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7YO and others have been corrected using Acedrg 317. While waiting, 2MA CFX X92 were updated at the CCD, which were also reflected here. Now this branch is ready for review. |
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İ cannot find review button |
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In the rightmost "Files changed" tab? |
GaribMurshudov
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Apr 9, 2025
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İ did not do tests.
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@drlemmus could you test this branch? |
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Will do |
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Worked good for me. |
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Thank you very much! |
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obsolete: 6H0 QNL QZS R5B ONO
updated: 0TJ 2N2 2UC 4M9 56J 5VV 6KB 7YO 9AC 9RI 9YP AS1 AXI C12 C2K CFD CR0 CRK DUG EX8 HHC KTO LTE M9W MAZ NEH O0B O4Q O6H ORT PX1 PXA PXF PXZ Q2E QCL QCN QDD QOL QQ8 QQB QUJ QUK QVS RFQ RNG S7Z SJW TA2 V7P XX2 XY5 ZAS ZNB ZRY ZXW 2MA CFX X92
May need other adjustment.
Note that the RFQ issue has been reported to PDB (N27 should have hydrogen instead of radical)