What's Changed Fix CI after master-to-main switch by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/162 Update README.md by @ashrayar in https://github.com/ExcitedStates/qfit-3.0/pull/161 Update README in main by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/163 Analysis script updates by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/168 a post refine script that works! by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/169 Improve README for M1 Macs by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/174 Make sure the user provides a resolution value if the input map is in MRC/CCP4 or MAP formats by @ashrayar in https://github.com/ExcitedStates/qfit-3.0/pull/180 Unify all QFitOptions classes into a single class by @ss199514 in https://github.com/ExcitedStates/qfit-3.0/pull/178 Fixing large maps being able to be fed into qFit Protein without crashing by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/176 If options.nproc is 1, run QFitRotamericResidue job in MainProcess by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/185 179 qfit protein outputting duplicate hetatms by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/186 Clarify warning about AttributeError at Cβ by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/187 Fixed X-ray data labels search and changed how phenix refinement parameters are given in post qfit refinement xray script by @ashrayar in https://github.com/ExcitedStates/qfit-3.0/pull/188 Fix multiconformer_model.pdb not found error when it is actually present by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/196 189 delete qfit combine qfit ppidesign qfit segment and other entrypoints that dont work by @ashrayar in https://github.com/ExcitedStates/qfit-3.0/pull/197 Fix post analysis script typos by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/193 Better error message map/model are in the incorrect order upon input. by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/192 Small patch fixes by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/195 removing lines by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/201 If a residue-sampling checkpoint exists, don't add it to the list of residues to be sampled by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/211 Instruct users to install qFit from main branch code by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/212 Rewrite XMap.extract() for 500x speed boost by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/214 Fix non-convex objective errors by selectively deleting conformers by @blake-riley in https://github.com/ExcitedStates/qfit-3.0/pull/213 Delete SpaceGroups.py by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/218 Improved error message: unknown file type error in qfit residue by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/220 Refine script: output names and riding hydrogens by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/221 226 create test to read in and write out map file by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/228 227 Building tests for a variety of SG by @ss199514 in https://github.com/ExcitedStates/qfit-3.0/pull/229 224 create a test to read in different model files by @ashrayar in https://github.com/ExcitedStates/qfit-3.0/pull/232 Change branch: 226 create test to read inwrite out map file by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/239 qFit 3.2.2: Merging dev -> main by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/237 Update README.md by @stephaniewankowicz in https://github.com/ExcitedStates/qfit-3.0/pull/240 New Contributors @ashrayar made their first contribution in https://github.com/ExcitedStates/qfit-3.0/pull/161 @ss199514 made their first contribution in https://github.com/ExcitedStates/qfit-3.0/pull/178 Full Changelog: https://github.com/ExcitedStates/qfit-3.0/compare/v3.2.1...v3.2.2