QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: anantvijay on November 21, 2014, 23:20

Title: About .cif file
Post by: anantvijay on November 21, 2014, 23:20

Hello everyone,
I am trying to open a .cif file in this Builder module but it is not opening,What should i do .I have attcahed the file please suggest me

Title: Re: About .cif file
Post by: Anders Blom on November 23, 2014, 18:31

Remove the : from line 34 and it works fine. Will be fixed in 2014.2, long outstanding issue (formally the HM symbol should not contain setting info, but in practice it very often does).

Title: Re: About .cif file
Post by: Anders Blom on January 21, 2015, 15:22

The CIF importer is improved in ATK 2014.2, so you can try that first.
Otherwise check the HM symbol in the file, and let us know it. You can then try to remove that line, the file usually imports fine without it, as long as the spacegroup is given in the file.