Re: [ccp4bb] Unknown positive electron density

2017-08-21 Thread Shailesh Tripathi
are multiple ones present in the positive > density? > > Here are more views of the connected positive density. > > > https://cbsostorage.chem.umd.edu/owncloud/index.php/s/j5CgZIJe6NKgUlZ > > https://cbsostorage.chem.umd.edu/owncloud/index.php/s/YbiNFbT8AW1iHUQ > > > &g

Re: [ccp4bb] Unknown positive electron density

2017-08-21 Thread Shailesh Tripathi
Looks like Ba2+. Since it exist with coordination number 6 or above check what geometry water is following there (trigonal bipiramidal or so on). Water might also be shared by symmetry related Ba cation. Shailesh Kumar Tripathi, Phone: 9686289668 On Mon, Aug 21, 2017 at 9:17 PM, Betty Chu