ERROR: [NormalModesCalculationError] Number of atoms is different about lightdock HOT 6 CLOSED

@lonngxiang problem solved by using pdbfixer. Install it and use command pdbfixer xxx.pdb to reconstruct protein file, and run lightdock again.

Thanks for your kindly help and support @brianjimenez @JorgeRoel

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same here, remove -anm could fix it, but don't know the impact

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but I want flexible docking，Is there any way to solve it？

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@zhl10154 , could you please share your PDB files with me? [email protected]

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This problem is caused by ProDy not recognizing partial residues and the error is raised to avoid inconsistencies in the atom numbering when ANM is applied (backbone flexibility). Thanks @JorgeRoel for providing support by email. In the meantime, I recommend to use pdbfixer with input structures, since that is an excellent software to rebuild missing atoms.

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@zhl10154 , could you please share your PDB files with me? [email protected]

Thanks for help, @JorgeRoel . I have sent pdb files to your email.

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