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always get mistaken chain connection in binder design

Open MaoSihong opened this issue 2 years ago • 5 comments

image here shows the partial comparison between original stucture and the one after diffusion. confusingly, i always get wrong connection within those part that i did not declare to be disigned. image i use /0 as the sign for chain break but seem to be failed, since chain E and F was connected wrong

i havent figure out the exact rule behind, any advice will be appreciated!

MaoSihong avatar Apr 30 '23 07:04 MaoSihong

For binder design. The target chains are are labelled as a single chain. this may result in some software like chimera to show them connected.

sokrypton avatar Apr 30 '23 16:04 sokrypton

用于粘结剂设计。目标链被标记为单个链。这可能会导致像Chimera这样的软件显示它们已连接。

wow, can we make any improvement upon this? i haven't look into the code, dont know how could it be improved

MaoSihong avatar May 01 '23 05:05 MaoSihong

用于粘结剂设计。目标链被标记为单个链。这可能会导致像Chimera这样的软件显示它们已连接。

to my knowledge the wrong connection seemed to have little influence upon the designed binder, can i still use the diffusion result by manually deleting the wrong part?

MaoSihong avatar May 01 '23 05:05 MaoSihong