Hello! PLACER really fulfills a need for me in creating ligand conformers in their native locations. I have been on a kick of using atomworks as my go-to pre- and post-processing toolbox for manipulating my computed structure files. I have tried running PLACER on a file I've written from the atomworks to_cif_file function, but it fails on parsing the input. It works with the CIFs provided in the pipeline, but I noticed that the file formats are totally different between the two (columns are in a different order, the res_id attributes are indexed from 0 in one and 1 in the other, etc).
I am wondering if this is a problem with my designed proteins, or if it's functionality that can be added to the package to support atomworks generated CIFs. Thank you so much for any feedback you might be able to give!
Hello! PLACER really fulfills a need for me in creating ligand conformers in their native locations. I have been on a kick of using atomworks as my go-to pre- and post-processing toolbox for manipulating my computed structure files. I have tried running PLACER on a file I've written from the atomworks
to_cif_filefunction, but it fails on parsing the input. It works with the CIFs provided in the pipeline, but I noticed that the file formats are totally different between the two (columns are in a different order, theres_idattributes are indexed from 0 in one and 1 in the other, etc).I am wondering if this is a problem with my designed proteins, or if it's functionality that can be added to the package to support atomworks generated CIFs. Thank you so much for any feedback you might be able to give!